data_19605 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19605 _Entry.PDB_ID 2MGV save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19605 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 116.880 116.880 118.862 -1.982 19605 2 1 1 . 1 1 2 2 SER HA H 2 4.512 4.512 4.713 -0.201 19605 3 1 1 . 1 1 2 2 SER C C 2 173.604 173.604 174.353 -0.749 19605 4 1 1 . 1 1 2 2 SER CA C 2 57.780 57.780 58.087 -0.306 19605 5 1 1 . 1 1 2 2 SER CB C 2 64.797 64.797 63.030 1.767 19605 6 1 1 . 1 1 2 2 SER H H 2 8.343 8.343 8.467 -0.124 19605 7 1 1 . 1 1 3 3 ARG N N 3 125.018 125.018 128.343 -3.325 19605 8 1 1 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.428 -0.040 19605 9 1 1 . 1 1 3 3 ARG C C 3 176.056 176.056 174.835 1.221 19605 10 1 1 . 1 1 3 3 ARG CA C 3 55.092 55.092 55.852 -0.760 19605 11 1 1 . 1 1 3 3 ARG CB C 3 30.458 30.458 31.696 -1.238 19605 12 1 1 . 1 1 3 3 ARG H H 3 8.135 8.135 8.105 0.030 19605 13 1 1 . 1 1 4 4 VAL N N 4 130.625 130.625 123.398 7.227 19605 14 1 1 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.101 -0.472 19605 15 1 1 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.546 -0.329 19605 16 1 1 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.087 -0.389 19605 17 1 1 . 1 1 4 4 VAL H H 4 8.329 8.329 8.055 0.274 19605 18 1 1 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.526 -0.359 19605 19 1 1 . 1 1 5 5 PRO C C 5 175.420 175.420 175.877 -0.457 19605 20 1 1 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.282 0.001 19605 21 1 1 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.456 -0.758 19605 22 1 1 . 1 1 6 6 SER N N 6 117.470 117.470 118.286 -0.816 19605 23 1 1 . 1 1 6 6 SER HA H 6 4.240 4.240 4.450 -0.210 19605 24 1 1 . 1 1 6 6 SER C C 6 176.008 176.008 175.045 0.963 19605 25 1 1 . 1 1 6 6 SER CA C 6 58.251 58.251 57.928 0.323 19605 26 1 1 . 1 1 6 6 SER CB C 6 62.779 62.779 63.110 -0.331 19605 27 1 1 . 1 1 6 6 SER H H 6 8.303 8.303 8.411 -0.108 19605 28 1 1 . 1 1 7 7 VAL N N 7 120.063 120.063 119.765 0.298 19605 29 1 1 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.341 -0.064 19605 30 1 1 . 1 1 7 7 VAL C C 7 173.746 173.746 175.695 -1.949 19605 31 1 1 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.109 -2.050 19605 32 1 1 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.167 -0.139 19605 33 1 1 . 1 1 7 7 VAL H H 7 8.733 8.733 8.620 0.113 19605 34 1 1 . 1 1 8 8 ALA N N 8 124.872 124.872 123.432 1.440 19605 35 1 1 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.311 -0.721 19605 36 1 1 . 1 1 8 8 ALA C C 8 178.648 178.648 178.526 0.122 19605 37 1 1 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.294 -0.269 19605 38 1 1 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.203 -0.890 19605 39 1 1 . 1 1 8 8 ALA H H 8 6.818 6.818 7.774 -0.956 19605 40 1 1 . 1 1 9 9 GLY N N 9 112.849 112.849 112.046 0.803 19605 41 1 1 . 1 1 9 9 GLY C C 9 174.194 174.194 174.174 0.020 19605 42 1 1 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.043 -0.119 19605 43 1 1 . 1 1 9 9 GLY H H 9 8.488 8.488 9.024 -0.536 19605 44 1 1 . 1 1 10 10 LEU N N 10 122.262 122.262 121.690 0.572 19605 45 1 1 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.625 -0.268 19605 46 1 1 . 1 1 10 10 LEU C C 10 176.409 176.409 175.728 0.681 19605 47 1 1 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.306 0.298 19605 48 1 1 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.121 -0.346 19605 49 1 1 . 1 1 10 10 LEU H H 10 7.247 7.247 7.775 -0.528 19605 50 1 1 . 1 1 11 11 ASP N N 11 118.831 118.831 118.363 0.468 19605 51 1 1 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.735 0.008 19605 52 1 1 . 1 1 11 11 ASP C C 11 176.857 176.857 178.054 -1.197 19605 53 1 1 . 1 1 11 11 ASP CA C 11 52.446 52.446 53.728 -1.282 19605 54 1 1 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.742 -1.373 19605 55 1 1 . 1 1 11 11 ASP H H 11 7.615 7.615 8.327 -0.712 19605 56 1 1 . 1 1 12 12 VAL N N 12 122.055 122.055 122.884 -0.829 19605 57 1 1 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.701 -0.468 19605 58 1 1 . 1 1 12 12 VAL C C 12 177.022 177.022 177.449 -0.427 19605 59 1 1 . 1 1 12 12 VAL CA C 12 67.280 67.280 66.959 0.321 19605 60 1 1 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.489 -0.370 19605 61 1 1 . 1 1 12 12 VAL H H 12 8.422 8.422 8.047 0.375 19605 62 1 1 . 1 1 13 13 ASP N N 13 121.428 121.428 119.472 1.956 19605 63 1 1 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.353 -0.152 19605 64 1 1 . 1 1 13 13 ASP C C 13 179.002 179.002 177.868 1.134 19605 65 1 1 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.434 0.536 19605 66 1 1 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.561 -0.927 19605 67 1 1 . 1 1 13 13 ASP H H 13 8.085 8.085 8.491 -0.406 19605 68 1 1 . 1 1 14 14 ALA N N 14 126.571 126.571 121.200 5.371 19605 69 1 1 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.230 -0.172 19605 70 1 1 . 1 1 14 14 ALA C C 14 180.675 180.675 179.386 1.289 19605 71 1 1 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.592 -0.327 19605 72 1 1 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.311 0.161 19605 73 1 1 . 1 1 14 14 ALA H H 14 8.043 8.043 7.169 0.874 19605 74 1 1 . 1 1 15 15 ALA N N 15 124.633 124.633 121.335 3.298 19605 75 1 1 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.028 -0.281 19605 76 1 1 . 1 1 15 15 ALA C C 15 178.507 178.507 179.510 -1.003 19605 77 1 1 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.822 -0.032 19605 78 1 1 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.216 -0.240 19605 79 1 1 . 1 1 15 15 ALA H H 15 8.580 8.580 7.996 0.584 19605 80 1 1 . 1 1 16 16 ARG N N 16 119.849 119.849 118.559 1.290 19605 81 1 1 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.047 -0.420 19605 82 1 1 . 1 1 16 16 ARG C C 16 177.918 177.918 178.329 -0.411 19605 83 1 1 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.394 0.740 19605 84 1 1 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.247 -0.533 19605 85 1 1 . 1 1 16 16 ARG H H 16 8.538 8.538 8.345 0.193 19605 86 1 1 . 1 1 17 17 GLN N N 17 119.457 119.457 118.456 1.001 19605 87 1 1 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.068 -0.370 19605 88 1 1 . 1 1 17 17 GLN C C 17 177.352 177.352 178.334 -0.982 19605 89 1 1 . 1 1 17 17 GLN CA C 17 58.233 58.233 59.126 -0.893 19605 90 1 1 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.564 -0.751 19605 91 1 1 . 1 1 17 17 GLN H H 17 7.522 7.522 7.620 -0.098 19605 92 1 1 . 1 1 18 18 ARG N N 18 120.878 120.878 120.713 0.165 19605 93 1 1 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.091 -0.150 19605 94 1 1 . 1 1 18 18 ARG C C 18 179.662 179.662 178.988 0.674 19605 95 1 1 . 1 1 18 18 ARG CA C 18 58.344 58.344 58.862 -0.518 19605 96 1 1 . 1 1 18 18 ARG CB C 18 29.466 29.466 29.827 -0.361 19605 97 1 1 . 1 1 18 18 ARG H H 18 7.977 7.977 7.735 0.242 19605 98 1 1 . 1 1 19 19 LEU N N 19 120.628 120.628 120.103 0.525 19605 99 1 1 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.056 -0.270 19605 100 1 1 . 1 1 19 19 LEU C C 19 178.578 178.578 178.910 -0.332 19605 101 1 1 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.793 -0.808 19605 102 1 1 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.784 0.081 19605 103 1 1 . 1 1 19 19 LEU H H 19 7.829 7.829 7.734 0.095 19605 104 1 1 . 1 1 20 20 LYS N N 20 123.180 123.180 119.667 3.513 19605 105 1 1 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.197 0.160 19605 106 1 1 . 1 1 20 20 LYS C C 20 181.925 181.925 179.563 2.362 19605 107 1 1 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.383 0.084 19605 108 1 1 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.030 -0.084 19605 109 1 1 . 1 1 20 20 LYS H H 20 8.064 8.064 7.703 0.361 19605 110 1 1 . 1 1 21 21 ASP N N 21 124.388 124.388 120.136 4.252 19605 111 1 1 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.528 -0.262 19605 112 1 1 . 1 1 21 21 ASP C C 21 177.281 177.281 176.884 0.397 19605 113 1 1 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.517 0.423 19605 114 1 1 . 1 1 21 21 ASP CB C 21 40.294 40.294 40.973 -0.679 19605 115 1 1 . 1 1 21 21 ASP H H 21 8.756 8.756 7.904 0.852 19605 116 1 1 . 1 1 22 22 ALA N N 22 121.900 121.900 119.625 2.275 19605 117 1 1 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.540 -0.170 19605 118 1 1 . 1 1 22 22 ALA C C 22 176.480 176.480 177.359 -0.879 19605 119 1 1 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.933 -0.644 19605 120 1 1 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.184 -0.382 19605 121 1 1 . 1 1 22 22 ALA H H 22 7.142 7.142 7.583 -0.441 19605 122 1 1 . 1 1 23 23 GLY N N 23 108.215 108.215 106.324 1.891 19605 123 1 1 . 1 1 23 23 GLY C C 23 174.288 174.288 174.177 0.111 19605 124 1 1 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.177 -0.501 19605 125 1 1 . 1 1 23 23 GLY H H 23 7.823 7.823 7.561 0.262 19605 126 1 1 . 1 1 24 24 PHE N N 24 120.200 120.200 118.839 1.361 19605 127 1 1 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.761 -0.547 19605 128 1 1 . 1 1 24 24 PHE C C 24 175.608 175.608 174.946 0.662 19605 129 1 1 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.738 1.991 19605 130 1 1 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.787 -1.815 19605 131 1 1 . 1 1 24 24 PHE H H 24 7.576 7.576 8.165 -0.589 19605 132 1 1 . 1 1 25 25 GLN N N 25 121.644 121.644 119.064 2.580 19605 133 1 1 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.636 -0.300 19605 134 1 1 . 1 1 25 25 GLN C C 25 175.019 175.019 174.179 0.840 19605 135 1 1 . 1 1 25 25 GLN CA C 25 54.510 54.510 54.992 -0.482 19605 136 1 1 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.079 -0.857 19605 137 1 1 . 1 1 25 25 GLN H H 25 7.813 7.813 8.689 -0.876 19605 138 1 1 . 1 1 26 26 VAL N N 26 124.721 124.721 121.451 3.270 19605 139 1 1 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.225 0.599 19605 140 1 1 . 1 1 26 26 VAL C C 26 176.574 176.574 174.771 1.803 19605 141 1 1 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.739 -0.522 19605 142 1 1 . 1 1 26 26 VAL CB C 26 33.186 33.186 33.250 -0.064 19605 143 1 1 . 1 1 26 26 VAL H H 26 8.580 8.580 8.407 0.173 19605 144 1 1 . 1 1 27 27 ALA N N 27 134.373 134.373 129.786 4.587 19605 145 1 1 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.522 -0.477 19605 146 1 1 . 1 1 27 27 ALA C C 27 178.342 178.342 176.562 1.780 19605 147 1 1 . 1 1 27 27 ALA CA C 27 52.116 52.116 51.694 0.422 19605 148 1 1 . 1 1 27 27 ALA CB C 27 18.472 18.472 20.547 -2.075 19605 149 1 1 . 1 1 27 27 ALA H H 27 8.379 8.379 7.902 0.477 19605 150 1 1 . 1 1 28 28 ASP N N 28 124.562 124.562 119.379 5.183 19605 151 1 1 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.587 -0.399 19605 152 1 1 . 1 1 28 28 ASP C C 28 176.668 176.668 176.242 0.426 19605 153 1 1 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.301 2.295 19605 154 1 1 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.326 -0.097 19605 155 1 1 . 1 1 28 28 ASP H H 28 8.614 8.614 8.598 0.016 19605 156 1 1 . 1 1 29 29 GLN N N 29 118.753 118.753 119.993 -1.240 19605 157 1 1 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.377 0.109 19605 158 1 1 . 1 1 29 29 GLN C C 29 177.261 177.261 174.742 2.519 19605 159 1 1 . 1 1 29 29 GLN CA C 29 54.265 54.265 55.979 -1.714 19605 160 1 1 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.402 0.698 19605 161 1 1 . 1 1 29 29 GLN H H 29 7.779 7.779 8.071 -0.292 19605 162 1 1 . 1 1 30 30 THR N N 30 116.584 116.584 115.506 1.078 19605 163 1 1 . 1 1 30 30 THR HA H 30 4.422 4.422 4.589 -0.167 19605 164 1 1 . 1 1 30 30 THR C C 30 173.887 173.887 173.354 0.533 19605 165 1 1 . 1 1 30 30 THR CA C 30 60.402 60.402 59.986 0.416 19605 166 1 1 . 1 1 30 30 THR CB C 30 70.054 70.054 71.266 -1.212 19605 167 1 1 . 1 1 30 30 THR H H 30 8.167 8.167 8.251 -0.084 19605 168 1 1 . 1 1 31 31 ASN N N 31 120.109 120.109 121.079 -0.970 19605 169 1 1 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.966 -0.025 19605 170 1 1 . 1 1 31 31 ASN C C 31 173.981 173.981 173.757 0.224 19605 171 1 1 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.461 -1.255 19605 172 1 1 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.682 1.015 19605 173 1 1 . 1 1 31 31 ASN H H 31 8.284 8.284 8.548 -0.264 19605 174 1 1 . 1 1 32 32 SER N N 32 123.634 123.634 119.289 4.345 19605 175 1 1 . 1 1 32 32 SER HA H 32 5.032 5.032 5.164 -0.132 19605 176 1 1 . 1 1 32 32 SER C C 32 174.099 174.099 173.761 0.338 19605 177 1 1 . 1 1 32 32 SER CA C 32 57.596 57.596 57.260 0.336 19605 178 1 1 . 1 1 32 32 SER CB C 32 63.862 63.862 64.960 -1.098 19605 179 1 1 . 1 1 32 32 SER H H 32 8.479 8.479 8.516 -0.037 19605 180 1 1 . 1 1 33 33 VAL N N 33 121.104 121.104 119.879 1.225 19605 181 1 1 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.495 -0.021 19605 182 1 1 . 1 1 33 33 VAL C C 33 174.406 174.406 174.758 -0.352 19605 183 1 1 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.776 -1.339 19605 184 1 1 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.098 0.072 19605 185 1 1 . 1 1 33 33 VAL H H 33 8.730 8.730 8.632 0.098 19605 186 1 1 . 1 1 34 34 ASN N N 34 123.720 123.720 124.441 -0.721 19605 187 1 1 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.369 -0.526 19605 188 1 1 . 1 1 34 34 ASN C C 34 175.443 175.443 174.974 0.469 19605 189 1 1 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.178 0.260 19605 190 1 1 . 1 1 34 34 ASN CB C 34 37.567 37.567 38.883 -1.317 19605 191 1 1 . 1 1 34 34 ASN H H 34 8.282 8.282 8.690 -0.408 19605 192 1 1 . 1 1 35 35 SER N N 35 120.866 120.866 116.386 4.480 19605 193 1 1 . 1 1 35 35 SER HA H 35 4.292 4.292 4.691 -0.399 19605 194 1 1 . 1 1 35 35 SER C C 35 172.214 172.214 173.145 -0.931 19605 195 1 1 . 1 1 35 35 SER CA C 35 58.531 58.531 57.553 0.978 19605 196 1 1 . 1 1 35 35 SER CB C 35 63.114 63.114 64.489 -1.375 19605 197 1 1 . 1 1 35 35 SER H H 35 7.987 7.987 8.309 -0.322 19605 198 1 1 . 1 1 36 36 SER N N 36 119.438 119.438 114.797 4.641 19605 199 1 1 . 1 1 36 36 SER HA H 36 4.266 4.266 4.565 -0.299 19605 200 1 1 . 1 1 36 36 SER C C 36 175.254 175.254 173.205 2.049 19605 201 1 1 . 1 1 36 36 SER CA C 36 58.195 58.195 58.435 -0.240 19605 202 1 1 . 1 1 36 36 SER CB C 36 63.145 63.145 63.410 -0.265 19605 203 1 1 . 1 1 36 36 SER H H 36 7.972 7.972 8.343 -0.371 19605 204 1 1 . 1 1 37 37 ALA N N 37 128.628 128.628 123.954 4.674 19605 205 1 1 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.474 -0.416 19605 206 1 1 . 1 1 37 37 ALA C C 37 177.918 177.918 175.899 2.019 19605 207 1 1 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.527 1.186 19605 208 1 1 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.524 -2.804 19605 209 1 1 . 1 1 37 37 ALA H H 37 8.386 8.386 7.579 0.807 19605 210 1 1 . 1 1 38 38 LYS N N 38 125.515 125.515 120.136 5.379 19605 211 1 1 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.437 -0.625 19605 212 1 1 . 1 1 38 38 LYS C C 38 174.854 174.854 176.144 -1.290 19605 213 1 1 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.373 1.194 19605 214 1 1 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.678 -1.401 19605 215 1 1 . 1 1 38 38 LYS H H 38 8.320 8.320 8.506 -0.186 19605 216 1 1 . 1 1 39 39 TYR N N 39 124.088 124.088 127.322 -3.234 19605 217 1 1 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.340 -0.784 19605 218 1 1 . 1 1 39 39 TYR C C 39 177.328 177.328 176.763 0.565 19605 219 1 1 . 1 1 39 39 TYR CA C 39 59.934 59.934 59.166 0.768 19605 220 1 1 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.697 -0.180 19605 221 1 1 . 1 1 39 39 TYR H H 39 8.248 8.248 8.715 -0.467 19605 222 1 1 . 1 1 40 40 GLY N N 40 117.795 117.795 114.353 3.442 19605 223 1 1 . 1 1 40 40 GLY C C 40 173.534 173.534 173.161 0.373 19605 224 1 1 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.717 0.534 19605 225 1 1 . 1 1 40 40 GLY H H 40 8.454 8.454 8.367 0.087 19605 226 1 1 . 1 1 41 41 GLU N N 41 124.175 124.175 122.443 1.732 19605 227 1 1 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.637 -0.683 19605 228 1 1 . 1 1 41 41 GLU C C 41 176.103 176.103 175.701 0.402 19605 229 1 1 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.678 1.076 19605 230 1 1 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.147 -0.276 19605 231 1 1 . 1 1 41 41 GLU H H 41 7.930 7.930 7.602 0.328 19605 232 1 1 . 1 1 42 42 VAL N N 42 126.109 126.109 127.628 -1.519 19605 233 1 1 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.141 -0.174 19605 234 1 1 . 1 1 42 42 VAL C C 42 177.682 177.682 176.019 1.663 19605 235 1 1 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.529 0.077 19605 236 1 1 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.717 0.402 19605 237 1 1 . 1 1 42 42 VAL H H 42 8.409 8.409 8.737 -0.328 19605 238 1 1 . 1 1 43 43 VAL N N 43 123.554 123.554 124.243 -0.689 19605 239 1 1 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.620 -0.315 19605 240 1 1 . 1 1 43 43 VAL C C 43 175.419 175.419 176.140 -0.721 19605 241 1 1 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.302 -1.085 19605 242 1 1 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.533 0.322 19605 243 1 1 . 1 1 43 43 VAL H H 43 8.738 8.738 7.905 0.833 19605 244 1 1 . 1 1 44 44 GLY N N 44 110.450 110.450 110.351 0.099 19605 245 1 1 . 1 1 44 44 GLY C C 44 171.271 171.271 172.392 -1.121 19605 246 1 1 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.848 -0.172 19605 247 1 1 . 1 1 44 44 GLY H H 44 7.344 7.344 7.709 -0.365 19605 248 1 1 . 1 1 45 45 THR N N 45 109.623 109.623 116.238 -6.615 19605 249 1 1 . 1 1 45 45 THR HA H 45 4.912 4.912 5.073 -0.161 19605 250 1 1 . 1 1 45 45 THR C C 45 173.039 173.039 174.406 -1.367 19605 251 1 1 . 1 1 45 45 THR CA C 45 58.852 58.852 59.411 -0.559 19605 252 1 1 . 1 1 45 45 THR CB C 45 72.373 72.373 71.951 0.422 19605 253 1 1 . 1 1 45 45 THR H H 45 8.005 8.005 7.950 0.055 19605 254 1 1 . 1 1 46 46 SER N N 46 115.547 115.547 117.826 -2.279 19605 255 1 1 . 1 1 46 46 SER HA H 46 4.396 4.396 4.401 -0.005 19605 256 1 1 . 1 1 46 46 SER CA C 46 54.603 54.603 60.298 -5.695 19605 257 1 1 . 1 1 46 46 SER CB C 46 64.891 64.891 62.059 2.832 19605 258 1 1 . 1 1 46 46 SER H H 46 8.467 8.467 8.473 -0.006 19605 259 1 1 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.408 0.316 19605 260 1 1 . 1 1 47 47 PRO C C 47 174.783 174.783 175.979 -1.196 19605 261 1 1 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.901 0.119 19605 262 1 1 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.080 3.007 19605 263 1 1 . 1 1 48 48 SER N N 48 115.136 115.136 115.842 -0.706 19605 264 1 1 . 1 1 48 48 SER HA H 48 3.864 3.864 4.563 -0.699 19605 265 1 1 . 1 1 48 48 SER C C 48 173.086 173.086 174.955 -1.869 19605 266 1 1 . 1 1 48 48 SER CA C 48 56.754 56.754 57.313 -0.559 19605 267 1 1 . 1 1 48 48 SER CB C 48 64.763 64.763 65.314 -0.551 19605 268 1 1 . 1 1 48 48 SER H H 48 8.286 8.286 8.121 0.165 19605 269 1 1 . 1 1 49 49 GLY N N 49 112.028 112.028 113.135 -1.107 19605 270 1 1 . 1 1 49 49 GLY C C 49 173.604 173.604 173.953 -0.349 19605 271 1 1 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.225 -1.384 19605 272 1 1 . 1 1 49 49 GLY H H 49 8.727 8.727 8.705 0.022 19605 273 1 1 . 1 1 50 50 GLN N N 50 125.944 125.944 126.118 -0.174 19605 274 1 1 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.493 0.118 19605 275 1 1 . 1 1 50 50 GLN C C 50 175.513 175.513 174.702 0.811 19605 276 1 1 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.334 0.392 19605 277 1 1 . 1 1 50 50 GLN CB C 50 30.287 30.287 29.430 0.857 19605 278 1 1 . 1 1 50 50 GLN H H 50 8.317 8.317 8.313 0.003 19605 279 1 1 . 1 1 51 51 THR N N 51 121.904 121.904 117.551 4.353 19605 280 1 1 . 1 1 51 51 THR HA H 51 4.512 4.512 4.614 -0.102 19605 281 1 1 . 1 1 51 51 THR C C 51 172.968 172.968 173.631 -0.663 19605 282 1 1 . 1 1 51 51 THR CA C 51 59.747 59.747 60.683 -0.936 19605 283 1 1 . 1 1 51 51 THR CB C 51 69.193 69.193 71.052 -1.859 19605 284 1 1 . 1 1 51 51 THR H H 51 8.676 8.676 8.321 0.355 19605 285 1 1 . 1 1 52 52 ILE N N 52 125.386 125.386 124.187 1.199 19605 286 1 1 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.424 -0.179 19605 287 1 1 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.644 0.168 19605 288 1 1 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.224 0.854 19605 289 1 1 . 1 1 52 52 ILE H H 52 7.932 7.932 8.508 -0.576 19605 290 1 1 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.757 -0.770 19605 291 1 1 . 1 1 53 53 PRO C C 53 177.611 177.611 177.294 0.317 19605 292 1 1 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.419 0.531 19605 293 1 1 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.965 0.095 19605 294 1 1 . 1 1 54 54 GLY N N 54 112.497 112.497 111.788 0.709 19605 295 1 1 . 1 1 54 54 GLY C C 54 174.123 174.123 174.416 -0.293 19605 296 1 1 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.127 0.239 19605 297 1 1 . 1 1 54 54 GLY H H 54 7.868 7.868 8.848 -0.980 19605 298 1 1 . 1 1 55 55 SER N N 55 116.653 116.653 117.042 -0.389 19605 299 1 1 . 1 1 55 55 SER HA H 55 4.253 4.253 4.830 -0.577 19605 300 1 1 . 1 1 55 55 SER C C 55 172.261 172.261 174.126 -1.865 19605 301 1 1 . 1 1 55 55 SER CA C 55 59.467 59.467 57.441 2.026 19605 302 1 1 . 1 1 55 55 SER CB C 55 64.049 64.049 65.014 -0.965 19605 303 1 1 . 1 1 55 55 SER H H 55 7.412 7.412 8.291 -0.879 19605 304 1 1 . 1 1 56 56 ILE N N 56 122.704 122.704 122.964 -0.260 19605 305 1 1 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.300 -0.171 19605 306 1 1 . 1 1 56 56 ILE C C 56 176.338 176.338 174.816 1.522 19605 307 1 1 . 1 1 56 56 ILE CA C 56 61.711 61.711 60.961 0.750 19605 308 1 1 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.495 0.116 19605 309 1 1 . 1 1 56 56 ILE H H 56 8.139 8.139 8.268 -0.129 19605 310 1 1 . 1 1 57 57 VAL N N 57 131.677 131.677 129.104 2.573 19605 311 1 1 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.316 0.080 19605 312 1 1 . 1 1 57 57 VAL C C 57 174.382 174.382 174.859 -0.477 19605 313 1 1 . 1 1 57 57 VAL CA C 57 60.963 60.963 60.943 0.020 19605 314 1 1 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.992 1.597 19605 315 1 1 . 1 1 57 57 VAL H H 57 8.851 8.851 8.706 0.145 19605 316 1 1 . 1 1 58 58 THR N N 58 125.399 125.399 123.855 1.544 19605 317 1 1 . 1 1 58 58 THR HA H 58 4.551 4.551 4.603 -0.052 19605 318 1 1 . 1 1 58 58 THR C C 58 174.712 174.712 173.282 1.430 19605 319 1 1 . 1 1 58 58 THR CA C 58 61.431 61.431 61.955 -0.524 19605 320 1 1 . 1 1 58 58 THR CB C 58 69.661 69.661 70.384 -0.723 19605 321 1 1 . 1 1 58 58 THR H H 58 8.745 8.745 8.466 0.279 19605 322 1 1 . 1 1 59 59 ILE N N 59 132.342 132.342 126.732 5.610 19605 323 1 1 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.236 -0.658 19605 324 1 1 . 1 1 59 59 ILE C C 59 173.675 173.675 174.937 -1.262 19605 325 1 1 . 1 1 59 59 ILE CA C 59 62.927 62.927 60.946 1.981 19605 326 1 1 . 1 1 59 59 ILE CB C 59 38.394 38.394 37.998 0.396 19605 327 1 1 . 1 1 59 59 ILE H H 59 9.185 9.185 8.808 0.377 19605 328 1 1 . 1 1 60 60 GLN N N 60 127.338 127.338 126.223 1.115 19605 329 1 1 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.270 -0.128 19605 330 1 1 . 1 1 60 60 GLN C C 60 176.008 176.008 175.133 0.875 19605 331 1 1 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.105 -1.493 19605 332 1 1 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.009 -3.122 19605 333 1 1 . 1 1 60 60 GLN H H 60 8.290 8.290 8.831 -0.541 19605 334 1 1 . 1 1 61 61 ILE N N 61 120.103 120.103 117.493 2.610 19605 335 1 1 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.164 -0.119 19605 336 1 1 . 1 1 61 61 ILE C C 61 173.392 173.392 174.380 -0.988 19605 337 1 1 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.188 -0.616 19605 338 1 1 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.952 0.026 19605 339 1 1 . 1 1 61 61 ILE H H 61 8.750 8.750 7.983 0.767 19605 340 1 1 . 1 1 62 62 SER N N 62 116.310 116.310 116.115 0.195 19605 341 1 1 . 1 1 62 62 SER HA H 62 4.438 4.438 5.341 -0.903 19605 342 1 1 . 1 1 62 62 SER C C 62 177.140 177.140 174.849 2.291 19605 343 1 1 . 1 1 62 62 SER CA C 62 57.035 57.035 56.646 0.389 19605 344 1 1 . 1 1 62 62 SER CB C 62 62.830 62.830 64.379 -1.549 19605 345 1 1 . 1 1 62 62 SER H H 62 8.343 8.343 8.162 0.181 19605 346 1 1 . 1 1 63 63 ASN N N 63 128.919 128.919 123.479 5.440 19605 347 1 1 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.174 -0.597 19605 348 1 1 . 1 1 63 63 ASN C C 63 176.645 176.645 174.902 1.743 19605 349 1 1 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.376 0.367 19605 350 1 1 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.053 0.052 19605 351 1 1 . 1 1 63 63 ASN H H 63 8.805 8.805 8.991 -0.186 19605 352 1 1 . 1 1 64 64 GLY N N 64 111.519 111.519 109.775 1.744 19605 353 1 1 . 1 1 64 64 GLY C C 64 173.227 173.227 174.299 -1.072 19605 354 1 1 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.888 1.164 19605 355 1 1 . 1 1 64 64 GLY H H 64 8.676 8.676 8.745 -0.069 19605 356 1 2 . 1 1 2 2 SER N N 2 116.880 116.880 119.651 -2.771 19605 357 1 2 . 1 1 2 2 SER HA H 2 4.512 4.512 4.558 -0.046 19605 358 1 2 . 1 1 2 2 SER C C 2 173.604 173.604 174.137 -0.533 19605 359 1 2 . 1 1 2 2 SER CA C 2 57.780 57.780 58.381 -0.601 19605 360 1 2 . 1 1 2 2 SER CB C 2 64.797 64.797 62.648 2.149 19605 361 1 2 . 1 1 2 2 SER H H 2 8.343 8.343 8.307 0.036 19605 362 1 2 . 1 1 3 3 ARG N N 3 125.018 125.018 124.532 0.486 19605 363 1 2 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.412 -0.024 19605 364 1 2 . 1 1 3 3 ARG C C 3 176.056 176.056 174.302 1.754 19605 365 1 2 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.704 -1.612 19605 366 1 2 . 1 1 3 3 ARG CB C 3 30.458 30.458 31.467 -1.009 19605 367 1 2 . 1 1 3 3 ARG H H 3 8.135 8.135 8.176 -0.041 19605 368 1 2 . 1 1 4 4 VAL N N 4 130.625 130.625 124.858 5.767 19605 369 1 2 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.246 -0.617 19605 370 1 2 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.617 -0.400 19605 371 1 2 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.418 -0.720 19605 372 1 2 . 1 1 4 4 VAL H H 4 8.329 8.329 7.975 0.354 19605 373 1 2 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.479 -0.312 19605 374 1 2 . 1 1 5 5 PRO C C 5 175.420 175.420 175.995 -0.575 19605 375 1 2 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.584 -0.301 19605 376 1 2 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.288 -0.590 19605 377 1 2 . 1 1 6 6 SER N N 6 117.470 117.470 118.710 -1.240 19605 378 1 2 . 1 1 6 6 SER HA H 6 4.240 4.240 4.375 -0.135 19605 379 1 2 . 1 1 6 6 SER C C 6 176.008 176.008 174.827 1.181 19605 380 1 2 . 1 1 6 6 SER CA C 6 58.251 58.251 57.777 0.474 19605 381 1 2 . 1 1 6 6 SER CB C 6 62.779 62.779 63.537 -0.758 19605 382 1 2 . 1 1 6 6 SER H H 6 8.303 8.303 8.482 -0.179 19605 383 1 2 . 1 1 7 7 VAL N N 7 120.063 120.063 121.094 -1.031 19605 384 1 2 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.329 -0.052 19605 385 1 2 . 1 1 7 7 VAL C C 7 173.746 173.746 175.536 -1.790 19605 386 1 2 . 1 1 7 7 VAL CA C 7 59.059 59.059 60.280 -1.221 19605 387 1 2 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.115 -0.086 19605 388 1 2 . 1 1 7 7 VAL H H 7 8.733 8.733 8.537 0.196 19605 389 1 2 . 1 1 8 8 ALA N N 8 124.872 124.872 123.113 1.759 19605 390 1 2 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.337 -0.746 19605 391 1 2 . 1 1 8 8 ALA C C 8 178.648 178.648 178.721 -0.073 19605 392 1 2 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.097 -0.072 19605 393 1 2 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.009 -0.696 19605 394 1 2 . 1 1 8 8 ALA H H 8 6.818 6.818 7.722 -0.904 19605 395 1 2 . 1 1 9 9 GLY N N 9 112.849 112.849 112.185 0.664 19605 396 1 2 . 1 1 9 9 GLY C C 9 174.194 174.194 174.337 -0.143 19605 397 1 2 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.097 -0.173 19605 398 1 2 . 1 1 9 9 GLY H H 9 8.488 8.488 8.924 -0.436 19605 399 1 2 . 1 1 10 10 LEU N N 10 122.262 122.262 121.800 0.462 19605 400 1 2 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.673 -0.316 19605 401 1 2 . 1 1 10 10 LEU C C 10 176.409 176.409 176.157 0.252 19605 402 1 2 . 1 1 10 10 LEU CA C 10 53.604 53.604 54.043 -0.439 19605 403 1 2 . 1 1 10 10 LEU CB C 10 42.775 42.775 42.834 -0.058 19605 404 1 2 . 1 1 10 10 LEU H H 10 7.247 7.247 7.972 -0.725 19605 405 1 2 . 1 1 11 11 ASP N N 11 118.831 118.831 118.486 0.345 19605 406 1 2 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.790 -0.047 19605 407 1 2 . 1 1 11 11 ASP C C 11 176.857 176.857 178.186 -1.329 19605 408 1 2 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.086 -1.639 19605 409 1 2 . 1 1 11 11 ASP CB C 11 41.369 41.369 43.106 -1.737 19605 410 1 2 . 1 1 11 11 ASP H H 11 7.615 7.615 8.262 -0.647 19605 411 1 2 . 1 1 12 12 VAL N N 12 122.055 122.055 122.558 -0.503 19605 412 1 2 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.534 -0.301 19605 413 1 2 . 1 1 12 12 VAL C C 12 177.022 177.022 177.742 -0.720 19605 414 1 2 . 1 1 12 12 VAL CA C 12 67.280 67.280 66.787 0.493 19605 415 1 2 . 1 1 12 12 VAL CB C 12 31.119 31.119 32.055 -0.936 19605 416 1 2 . 1 1 12 12 VAL H H 12 8.422 8.422 8.179 0.243 19605 417 1 2 . 1 1 13 13 ASP N N 13 121.428 121.428 119.987 1.441 19605 418 1 2 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.237 -0.036 19605 419 1 2 . 1 1 13 13 ASP C C 13 179.002 179.002 177.741 1.261 19605 420 1 2 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.453 0.517 19605 421 1 2 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.095 -0.461 19605 422 1 2 . 1 1 13 13 ASP H H 13 8.085 8.085 7.856 0.229 19605 423 1 2 . 1 1 14 14 ALA N N 14 126.571 126.571 120.947 5.624 19605 424 1 2 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.252 -0.194 19605 425 1 2 . 1 1 14 14 ALA C C 14 180.675 180.675 179.069 1.606 19605 426 1 2 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.530 -0.265 19605 427 1 2 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.443 0.029 19605 428 1 2 . 1 1 14 14 ALA H H 14 8.043 8.043 7.791 0.252 19605 429 1 2 . 1 1 15 15 ALA N N 15 124.633 124.633 121.285 3.348 19605 430 1 2 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.032 -0.285 19605 431 1 2 . 1 1 15 15 ALA C C 15 178.507 178.507 179.459 -0.952 19605 432 1 2 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.797 -0.007 19605 433 1 2 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.142 -0.166 19605 434 1 2 . 1 1 15 15 ALA H H 15 8.580 8.580 7.948 0.632 19605 435 1 2 . 1 1 16 16 ARG N N 16 119.849 119.849 118.496 1.353 19605 436 1 2 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.068 -0.441 19605 437 1 2 . 1 1 16 16 ARG C C 16 177.918 177.918 178.357 -0.439 19605 438 1 2 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.361 0.773 19605 439 1 2 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.331 -0.617 19605 440 1 2 . 1 1 16 16 ARG H H 16 8.538 8.538 8.319 0.219 19605 441 1 2 . 1 1 17 17 GLN N N 17 119.457 119.457 118.527 0.930 19605 442 1 2 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.140 -0.442 19605 443 1 2 . 1 1 17 17 GLN C C 17 177.352 177.352 178.568 -1.216 19605 444 1 2 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.469 -0.236 19605 445 1 2 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.348 -0.535 19605 446 1 2 . 1 1 17 17 GLN H H 17 7.522 7.522 7.650 -0.128 19605 447 1 2 . 1 1 18 18 ARG N N 18 120.878 120.878 120.670 0.208 19605 448 1 2 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.091 -0.150 19605 449 1 2 . 1 1 18 18 ARG C C 18 179.662 179.662 179.019 0.643 19605 450 1 2 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.504 -1.160 19605 451 1 2 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.041 -0.575 19605 452 1 2 . 1 1 18 18 ARG H H 18 7.977 7.977 7.724 0.253 19605 453 1 2 . 1 1 19 19 LEU N N 19 120.628 120.628 120.127 0.501 19605 454 1 2 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.097 -0.311 19605 455 1 2 . 1 1 19 19 LEU C C 19 178.578 178.578 179.052 -0.474 19605 456 1 2 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.612 -0.627 19605 457 1 2 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.861 0.004 19605 458 1 2 . 1 1 19 19 LEU H H 19 7.829 7.829 7.748 0.081 19605 459 1 2 . 1 1 20 20 LYS N N 20 123.180 123.180 119.715 3.465 19605 460 1 2 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.236 0.121 19605 461 1 2 . 1 1 20 20 LYS C C 20 181.925 181.925 179.630 2.295 19605 462 1 2 . 1 1 20 20 LYS CA C 20 59.467 59.467 58.828 0.639 19605 463 1 2 . 1 1 20 20 LYS CB C 20 31.946 31.946 31.902 0.044 19605 464 1 2 . 1 1 20 20 LYS H H 20 8.064 8.064 7.745 0.319 19605 465 1 2 . 1 1 21 21 ASP N N 21 124.388 124.388 119.836 4.552 19605 466 1 2 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.524 -0.258 19605 467 1 2 . 1 1 21 21 ASP C C 21 177.281 177.281 176.962 0.319 19605 468 1 2 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.660 0.281 19605 469 1 2 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.120 -0.826 19605 470 1 2 . 1 1 21 21 ASP H H 21 8.756 8.756 7.902 0.854 19605 471 1 2 . 1 1 22 22 ALA N N 22 121.900 121.900 119.024 2.876 19605 472 1 2 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.624 -0.254 19605 473 1 2 . 1 1 22 22 ALA C C 22 176.480 176.480 177.363 -0.883 19605 474 1 2 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.429 -0.140 19605 475 1 2 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.169 -0.367 19605 476 1 2 . 1 1 22 22 ALA H H 22 7.142 7.142 7.491 -0.349 19605 477 1 2 . 1 1 23 23 GLY N N 23 108.215 108.215 105.919 2.296 19605 478 1 2 . 1 1 23 23 GLY C C 23 174.288 174.288 174.515 -0.227 19605 479 1 2 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.209 -0.533 19605 480 1 2 . 1 1 23 23 GLY H H 23 7.823 7.823 7.529 0.294 19605 481 1 2 . 1 1 24 24 PHE N N 24 120.200 120.200 118.776 1.424 19605 482 1 2 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.732 -0.518 19605 483 1 2 . 1 1 24 24 PHE C C 24 175.608 175.608 174.922 0.686 19605 484 1 2 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.553 2.176 19605 485 1 2 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.769 -1.797 19605 486 1 2 . 1 1 24 24 PHE H H 24 7.576 7.576 8.088 -0.512 19605 487 1 2 . 1 1 25 25 GLN N N 25 121.644 121.644 119.020 2.624 19605 488 1 2 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.651 -0.315 19605 489 1 2 . 1 1 25 25 GLN C C 25 175.019 175.019 174.713 0.306 19605 490 1 2 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.233 -0.724 19605 491 1 2 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.046 -0.824 19605 492 1 2 . 1 1 25 25 GLN H H 25 7.813 7.813 8.726 -0.913 19605 493 1 2 . 1 1 26 26 VAL N N 26 124.721 124.721 122.000 2.721 19605 494 1 2 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.287 0.537 19605 495 1 2 . 1 1 26 26 VAL C C 26 176.574 176.574 175.693 0.881 19605 496 1 2 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.505 -0.289 19605 497 1 2 . 1 1 26 26 VAL CB C 26 33.186 33.186 31.364 1.821 19605 498 1 2 . 1 1 26 26 VAL H H 26 8.580 8.580 8.499 0.081 19605 499 1 2 . 1 1 27 27 ALA N N 27 134.373 134.373 130.865 3.508 19605 500 1 2 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.242 -0.197 19605 501 1 2 . 1 1 27 27 ALA C C 27 178.342 178.342 176.833 1.509 19605 502 1 2 . 1 1 27 27 ALA CA C 27 52.116 52.116 53.100 -0.984 19605 503 1 2 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.756 -1.284 19605 504 1 2 . 1 1 27 27 ALA H H 27 8.379 8.379 7.654 0.725 19605 505 1 2 . 1 1 28 28 ASP N N 28 124.562 124.562 119.773 4.789 19605 506 1 2 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.547 -0.359 19605 507 1 2 . 1 1 28 28 ASP C C 28 176.668 176.668 176.173 0.495 19605 508 1 2 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.644 1.952 19605 509 1 2 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.311 -0.082 19605 510 1 2 . 1 1 28 28 ASP H H 28 8.614 8.614 8.707 -0.093 19605 511 1 2 . 1 1 29 29 GLN N N 29 118.753 118.753 119.390 -0.637 19605 512 1 2 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.419 0.067 19605 513 1 2 . 1 1 29 29 GLN C C 29 177.261 177.261 174.810 2.451 19605 514 1 2 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.371 -2.106 19605 515 1 2 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.204 0.896 19605 516 1 2 . 1 1 29 29 GLN H H 29 7.779 7.779 8.183 -0.404 19605 517 1 2 . 1 1 30 30 THR N N 30 116.584 116.584 115.349 1.235 19605 518 1 2 . 1 1 30 30 THR HA H 30 4.422 4.422 4.567 -0.145 19605 519 1 2 . 1 1 30 30 THR C C 30 173.887 173.887 173.267 0.620 19605 520 1 2 . 1 1 30 30 THR CA C 30 60.402 60.402 60.216 0.186 19605 521 1 2 . 1 1 30 30 THR CB C 30 70.054 70.054 71.112 -1.058 19605 522 1 2 . 1 1 30 30 THR H H 30 8.167 8.167 8.263 -0.096 19605 523 1 2 . 1 1 31 31 ASN N N 31 120.109 120.109 121.131 -1.022 19605 524 1 2 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.985 -0.044 19605 525 1 2 . 1 1 31 31 ASN C C 31 173.981 173.981 173.696 0.285 19605 526 1 2 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.407 -1.201 19605 527 1 2 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.949 0.748 19605 528 1 2 . 1 1 31 31 ASN H H 31 8.284 8.284 8.482 -0.198 19605 529 1 2 . 1 1 32 32 SER N N 32 123.634 123.634 119.211 4.423 19605 530 1 2 . 1 1 32 32 SER HA H 32 5.032 5.032 5.192 -0.160 19605 531 1 2 . 1 1 32 32 SER C C 32 174.099 174.099 173.902 0.197 19605 532 1 2 . 1 1 32 32 SER CA C 32 57.596 57.596 57.105 0.491 19605 533 1 2 . 1 1 32 32 SER CB C 32 63.862 63.862 64.931 -1.069 19605 534 1 2 . 1 1 32 32 SER H H 32 8.479 8.479 8.480 -0.001 19605 535 1 2 . 1 1 33 33 VAL N N 33 121.104 121.104 119.184 1.920 19605 536 1 2 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.585 -0.111 19605 537 1 2 . 1 1 33 33 VAL C C 33 174.406 174.406 174.562 -0.156 19605 538 1 2 . 1 1 33 33 VAL CA C 33 58.438 58.438 60.093 -1.655 19605 539 1 2 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.322 -0.152 19605 540 1 2 . 1 1 33 33 VAL H H 33 8.730 8.730 8.605 0.125 19605 541 1 2 . 1 1 34 34 ASN N N 34 123.720 123.720 123.585 0.135 19605 542 1 2 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.533 -0.690 19605 543 1 2 . 1 1 34 34 ASN C C 34 175.443 175.443 175.012 0.431 19605 544 1 2 . 1 1 34 34 ASN CA C 34 53.438 53.438 54.015 -0.577 19605 545 1 2 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.343 -1.776 19605 546 1 2 . 1 1 34 34 ASN H H 34 8.282 8.282 8.682 -0.400 19605 547 1 2 . 1 1 35 35 SER N N 35 120.866 120.866 116.308 4.558 19605 548 1 2 . 1 1 35 35 SER HA H 35 4.292 4.292 4.641 -0.349 19605 549 1 2 . 1 1 35 35 SER C C 35 172.214 172.214 173.334 -1.120 19605 550 1 2 . 1 1 35 35 SER CA C 35 58.531 58.531 57.654 0.876 19605 551 1 2 . 1 1 35 35 SER CB C 35 63.114 63.114 64.660 -1.546 19605 552 1 2 . 1 1 35 35 SER H H 35 7.987 7.987 8.323 -0.336 19605 553 1 2 . 1 1 36 36 SER N N 36 119.438 119.438 116.480 2.958 19605 554 1 2 . 1 1 36 36 SER HA H 36 4.266 4.266 4.451 -0.185 19605 555 1 2 . 1 1 36 36 SER C C 36 175.254 175.254 173.193 2.061 19605 556 1 2 . 1 1 36 36 SER CA C 36 58.195 58.195 58.219 -0.024 19605 557 1 2 . 1 1 36 36 SER CB C 36 63.145 63.145 62.828 0.317 19605 558 1 2 . 1 1 36 36 SER H H 36 7.972 7.972 8.535 -0.563 19605 559 1 2 . 1 1 37 37 ALA N N 37 128.628 128.628 123.425 5.203 19605 560 1 2 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.643 -0.585 19605 561 1 2 . 1 1 37 37 ALA C C 37 177.918 177.918 175.697 2.221 19605 562 1 2 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.695 1.018 19605 563 1 2 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.237 -2.517 19605 564 1 2 . 1 1 37 37 ALA H H 37 8.386 8.386 7.716 0.670 19605 565 1 2 . 1 1 38 38 LYS N N 38 125.515 125.515 120.040 5.475 19605 566 1 2 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.430 -0.618 19605 567 1 2 . 1 1 38 38 LYS C C 38 174.854 174.854 176.092 -1.238 19605 568 1 2 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.245 1.322 19605 569 1 2 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.182 -0.905 19605 570 1 2 . 1 1 38 38 LYS H H 38 8.320 8.320 8.485 -0.165 19605 571 1 2 . 1 1 39 39 TYR N N 39 124.088 124.088 126.270 -2.182 19605 572 1 2 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.269 -0.714 19605 573 1 2 . 1 1 39 39 TYR C C 39 177.328 177.328 176.904 0.424 19605 574 1 2 . 1 1 39 39 TYR CA C 39 59.934 59.934 59.112 0.822 19605 575 1 2 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.688 -0.171 19605 576 1 2 . 1 1 39 39 TYR H H 39 8.248 8.248 8.697 -0.449 19605 577 1 2 . 1 1 40 40 GLY N N 40 117.795 117.795 114.106 3.689 19605 578 1 2 . 1 1 40 40 GLY C C 40 173.534 173.534 173.662 -0.128 19605 579 1 2 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.763 0.488 19605 580 1 2 . 1 1 40 40 GLY H H 40 8.454 8.454 8.286 0.168 19605 581 1 2 . 1 1 41 41 GLU N N 41 124.175 124.175 122.360 1.815 19605 582 1 2 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.657 -0.703 19605 583 1 2 . 1 1 41 41 GLU C C 41 176.103 176.103 176.161 -0.058 19605 584 1 2 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.718 1.036 19605 585 1 2 . 1 1 41 41 GLU CB C 41 30.871 30.871 30.247 0.624 19605 586 1 2 . 1 1 41 41 GLU H H 41 7.930 7.930 7.585 0.345 19605 587 1 2 . 1 1 42 42 VAL N N 42 126.109 126.109 125.667 0.442 19605 588 1 2 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.089 -0.122 19605 589 1 2 . 1 1 42 42 VAL C C 42 177.682 177.682 176.083 1.599 19605 590 1 2 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.683 -0.077 19605 591 1 2 . 1 1 42 42 VAL CB C 42 31.119 31.119 31.071 0.048 19605 592 1 2 . 1 1 42 42 VAL H H 42 8.409 8.409 8.184 0.225 19605 593 1 2 . 1 1 43 43 VAL N N 43 123.554 123.554 123.324 0.230 19605 594 1 2 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.571 -0.266 19605 595 1 2 . 1 1 43 43 VAL C C 43 175.419 175.419 176.008 -0.589 19605 596 1 2 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.624 -1.407 19605 597 1 2 . 1 1 43 43 VAL CB C 43 32.855 32.855 33.098 -0.243 19605 598 1 2 . 1 1 43 43 VAL H H 43 8.738 8.738 7.864 0.874 19605 599 1 2 . 1 1 44 44 GLY N N 44 110.450 110.450 110.139 0.311 19605 600 1 2 . 1 1 44 44 GLY C C 44 171.271 171.271 172.359 -1.088 19605 601 1 2 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.723 -0.047 19605 602 1 2 . 1 1 44 44 GLY H H 44 7.344 7.344 7.707 -0.363 19605 603 1 2 . 1 1 45 45 THR N N 45 109.623 109.623 116.201 -6.578 19605 604 1 2 . 1 1 45 45 THR HA H 45 4.912 4.912 5.217 -0.305 19605 605 1 2 . 1 1 45 45 THR C C 45 173.039 173.039 174.382 -1.343 19605 606 1 2 . 1 1 45 45 THR CA C 45 58.852 58.852 59.485 -0.633 19605 607 1 2 . 1 1 45 45 THR CB C 45 72.373 72.373 72.036 0.337 19605 608 1 2 . 1 1 45 45 THR H H 45 8.005 8.005 7.969 0.036 19605 609 1 2 . 1 1 46 46 SER N N 46 115.547 115.547 117.978 -2.431 19605 610 1 2 . 1 1 46 46 SER HA H 46 4.396 4.396 4.489 -0.093 19605 611 1 2 . 1 1 46 46 SER CA C 46 54.603 54.603 60.149 -5.546 19605 612 1 2 . 1 1 46 46 SER CB C 46 64.891 64.891 62.009 2.882 19605 613 1 2 . 1 1 46 46 SER H H 46 8.467 8.467 8.454 0.013 19605 614 1 2 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.382 0.342 19605 615 1 2 . 1 1 47 47 PRO C C 47 174.783 174.783 175.740 -0.957 19605 616 1 2 . 1 1 47 47 PRO CA C 47 63.020 63.020 63.001 0.019 19605 617 1 2 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.080 3.007 19605 618 1 2 . 1 1 48 48 SER N N 48 115.136 115.136 114.814 0.322 19605 619 1 2 . 1 1 48 48 SER HA H 48 3.864 3.864 4.590 -0.726 19605 620 1 2 . 1 1 48 48 SER C C 48 173.086 173.086 174.935 -1.849 19605 621 1 2 . 1 1 48 48 SER CA C 48 56.754 56.754 57.429 -0.675 19605 622 1 2 . 1 1 48 48 SER CB C 48 64.763 64.763 65.279 -0.516 19605 623 1 2 . 1 1 48 48 SER H H 48 8.286 8.286 8.028 0.258 19605 624 1 2 . 1 1 49 49 GLY N N 49 112.028 112.028 112.494 -0.466 19605 625 1 2 . 1 1 49 49 GLY C C 49 173.604 173.604 173.768 -0.164 19605 626 1 2 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.479 -1.638 19605 627 1 2 . 1 1 49 49 GLY H H 49 8.727 8.727 8.560 0.167 19605 628 1 2 . 1 1 50 50 GLN N N 50 125.944 125.944 126.386 -0.442 19605 629 1 2 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.506 0.105 19605 630 1 2 . 1 1 50 50 GLN C C 50 175.513 175.513 174.537 0.976 19605 631 1 2 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.324 0.403 19605 632 1 2 . 1 1 50 50 GLN CB C 50 30.287 30.287 29.309 0.978 19605 633 1 2 . 1 1 50 50 GLN H H 50 8.317 8.317 8.322 -0.005 19605 634 1 2 . 1 1 51 51 THR N N 51 121.904 121.904 119.857 2.047 19605 635 1 2 . 1 1 51 51 THR HA H 51 4.512 4.512 4.641 -0.129 19605 636 1 2 . 1 1 51 51 THR C C 51 172.968 172.968 173.776 -0.808 19605 637 1 2 . 1 1 51 51 THR CA C 51 59.747 59.747 60.686 -0.939 19605 638 1 2 . 1 1 51 51 THR CB C 51 69.193 69.193 71.288 -2.095 19605 639 1 2 . 1 1 51 51 THR H H 51 8.676 8.676 8.265 0.411 19605 640 1 2 . 1 1 52 52 ILE N N 52 125.386 125.386 124.264 1.122 19605 641 1 2 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.412 -0.167 19605 642 1 2 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.578 0.234 19605 643 1 2 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.169 0.909 19605 644 1 2 . 1 1 52 52 ILE H H 52 7.932 7.932 8.499 -0.567 19605 645 1 2 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.741 -0.754 19605 646 1 2 . 1 1 53 53 PRO C C 53 177.611 177.611 177.319 0.292 19605 647 1 2 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.425 0.525 19605 648 1 2 . 1 1 53 53 PRO CB C 53 32.060 32.060 32.046 0.014 19605 649 1 2 . 1 1 54 54 GLY N N 54 112.497 112.497 112.074 0.423 19605 650 1 2 . 1 1 54 54 GLY C C 54 174.123 174.123 174.432 -0.309 19605 651 1 2 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.086 0.280 19605 652 1 2 . 1 1 54 54 GLY H H 54 7.868 7.868 8.877 -1.009 19605 653 1 2 . 1 1 55 55 SER N N 55 116.653 116.653 116.670 -0.017 19605 654 1 2 . 1 1 55 55 SER HA H 55 4.253 4.253 4.790 -0.537 19605 655 1 2 . 1 1 55 55 SER C C 55 172.261 172.261 173.741 -1.480 19605 656 1 2 . 1 1 55 55 SER CA C 55 59.467 59.467 57.371 2.096 19605 657 1 2 . 1 1 55 55 SER CB C 55 64.049 64.049 64.910 -0.861 19605 658 1 2 . 1 1 55 55 SER H H 55 7.412 7.412 8.165 -0.753 19605 659 1 2 . 1 1 56 56 ILE N N 56 122.704 122.704 122.414 0.290 19605 660 1 2 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.224 -0.095 19605 661 1 2 . 1 1 56 56 ILE C C 56 176.338 176.338 175.181 1.157 19605 662 1 2 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.021 0.690 19605 663 1 2 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.018 0.593 19605 664 1 2 . 1 1 56 56 ILE H H 56 8.139 8.139 8.202 -0.063 19605 665 1 2 . 1 1 57 57 VAL N N 57 131.677 131.677 130.264 1.413 19605 666 1 2 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.271 0.125 19605 667 1 2 . 1 1 57 57 VAL C C 57 174.382 174.382 174.679 -0.297 19605 668 1 2 . 1 1 57 57 VAL CA C 57 60.963 60.963 60.988 -0.025 19605 669 1 2 . 1 1 57 57 VAL CB C 57 34.589 34.589 33.065 1.524 19605 670 1 2 . 1 1 57 57 VAL H H 57 8.851 8.851 8.615 0.236 19605 671 1 2 . 1 1 58 58 THR N N 58 125.399 125.399 123.534 1.865 19605 672 1 2 . 1 1 58 58 THR HA H 58 4.551 4.551 4.617 -0.066 19605 673 1 2 . 1 1 58 58 THR C C 58 174.712 174.712 173.554 1.158 19605 674 1 2 . 1 1 58 58 THR CA C 58 61.431 61.431 61.330 0.101 19605 675 1 2 . 1 1 58 58 THR CB C 58 69.661 69.661 70.299 -0.638 19605 676 1 2 . 1 1 58 58 THR H H 58 8.745 8.745 8.497 0.248 19605 677 1 2 . 1 1 59 59 ILE N N 59 132.342 132.342 126.560 5.782 19605 678 1 2 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.218 -0.640 19605 679 1 2 . 1 1 59 59 ILE C C 59 173.675 173.675 175.016 -1.341 19605 680 1 2 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.127 1.800 19605 681 1 2 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.111 0.283 19605 682 1 2 . 1 1 59 59 ILE H H 59 9.185 9.185 8.789 0.396 19605 683 1 2 . 1 1 60 60 GLN N N 60 127.338 127.338 126.180 1.158 19605 684 1 2 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.287 -0.145 19605 685 1 2 . 1 1 60 60 GLN C C 60 176.008 176.008 175.133 0.875 19605 686 1 2 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.091 -1.479 19605 687 1 2 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.042 -3.155 19605 688 1 2 . 1 1 60 60 GLN H H 60 8.290 8.290 8.826 -0.536 19605 689 1 2 . 1 1 61 61 ILE N N 61 120.103 120.103 117.598 2.505 19605 690 1 2 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.167 -0.122 19605 691 1 2 . 1 1 61 61 ILE C C 61 173.392 173.392 174.378 -0.986 19605 692 1 2 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.151 -0.579 19605 693 1 2 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.945 0.032 19605 694 1 2 . 1 1 61 61 ILE H H 61 8.750 8.750 7.983 0.767 19605 695 1 2 . 1 1 62 62 SER N N 62 116.310 116.310 116.075 0.235 19605 696 1 2 . 1 1 62 62 SER HA H 62 4.438 4.438 5.346 -0.908 19605 697 1 2 . 1 1 62 62 SER C C 62 177.140 177.140 174.889 2.251 19605 698 1 2 . 1 1 62 62 SER CA C 62 57.035 57.035 56.577 0.458 19605 699 1 2 . 1 1 62 62 SER CB C 62 62.830 62.830 64.398 -1.568 19605 700 1 2 . 1 1 62 62 SER H H 62 8.343 8.343 8.169 0.174 19605 701 1 2 . 1 1 63 63 ASN N N 63 128.919 128.919 122.980 5.939 19605 702 1 2 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.118 -0.541 19605 703 1 2 . 1 1 63 63 ASN C C 63 176.645 176.645 174.876 1.769 19605 704 1 2 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.385 0.357 19605 705 1 2 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.011 0.094 19605 706 1 2 . 1 1 63 63 ASN H H 63 8.805 8.805 9.139 -0.334 19605 707 1 2 . 1 1 64 64 GLY N N 64 111.519 111.519 110.631 0.888 19605 708 1 2 . 1 1 64 64 GLY C C 64 173.227 173.227 174.246 -1.019 19605 709 1 2 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.141 1.911 19605 710 1 2 . 1 1 64 64 GLY H H 64 8.676 8.676 8.777 -0.101 19605 711 1 3 . 1 1 2 2 SER N N 2 116.880 116.880 113.503 3.377 19605 712 1 3 . 1 1 2 2 SER HA H 2 4.512 4.512 4.731 -0.219 19605 713 1 3 . 1 1 2 2 SER C C 2 173.604 173.604 173.568 0.036 19605 714 1 3 . 1 1 2 2 SER CA C 2 57.780 57.780 58.555 -0.775 19605 715 1 3 . 1 1 2 2 SER CB C 2 64.797 64.797 64.621 0.176 19605 716 1 3 . 1 1 2 2 SER H H 2 8.343 8.343 8.402 -0.059 19605 717 1 3 . 1 1 3 3 ARG N N 3 125.018 125.018 123.555 1.463 19605 718 1 3 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.417 -0.029 19605 719 1 3 . 1 1 3 3 ARG C C 3 176.056 176.056 174.606 1.450 19605 720 1 3 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.567 -1.475 19605 721 1 3 . 1 1 3 3 ARG CB C 3 30.458 30.458 31.905 -1.447 19605 722 1 3 . 1 1 3 3 ARG H H 3 8.135 8.135 8.611 -0.476 19605 723 1 3 . 1 1 4 4 VAL N N 4 130.625 130.625 123.829 6.796 19605 724 1 3 . 1 1 4 4 VAL HA H 4 3.629 3.629 3.967 -0.338 19605 725 1 3 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.237 -0.020 19605 726 1 3 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.233 -0.535 19605 727 1 3 . 1 1 4 4 VAL H H 4 8.329 8.329 8.011 0.318 19605 728 1 3 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.430 -0.263 19605 729 1 3 . 1 1 5 5 PRO C C 5 175.420 175.420 176.165 -0.745 19605 730 1 3 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.342 -0.059 19605 731 1 3 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.439 -0.741 19605 732 1 3 . 1 1 6 6 SER N N 6 117.470 117.470 116.977 0.493 19605 733 1 3 . 1 1 6 6 SER HA H 6 4.240 4.240 4.431 -0.191 19605 734 1 3 . 1 1 6 6 SER C C 6 176.008 176.008 175.109 0.899 19605 735 1 3 . 1 1 6 6 SER CA C 6 58.251 58.251 58.358 -0.107 19605 736 1 3 . 1 1 6 6 SER CB C 6 62.779 62.779 63.521 -0.742 19605 737 1 3 . 1 1 6 6 SER H H 6 8.303 8.303 8.352 -0.049 19605 738 1 3 . 1 1 7 7 VAL N N 7 120.063 120.063 120.704 -0.641 19605 739 1 3 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.375 -0.097 19605 740 1 3 . 1 1 7 7 VAL C C 7 173.746 173.746 175.610 -1.864 19605 741 1 3 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.130 -2.071 19605 742 1 3 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.544 -0.515 19605 743 1 3 . 1 1 7 7 VAL H H 7 8.733 8.733 8.242 0.491 19605 744 1 3 . 1 1 8 8 ALA N N 8 124.872 124.872 123.424 1.448 19605 745 1 3 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.296 -0.705 19605 746 1 3 . 1 1 8 8 ALA C C 8 178.648 178.648 178.597 0.051 19605 747 1 3 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.112 -0.087 19605 748 1 3 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.034 -0.720 19605 749 1 3 . 1 1 8 8 ALA H H 8 6.818 6.818 7.733 -0.915 19605 750 1 3 . 1 1 9 9 GLY N N 9 112.849 112.849 112.106 0.743 19605 751 1 3 . 1 1 9 9 GLY C C 9 174.194 174.194 174.216 -0.022 19605 752 1 3 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.005 -0.082 19605 753 1 3 . 1 1 9 9 GLY H H 9 8.488 8.488 9.020 -0.532 19605 754 1 3 . 1 1 10 10 LEU N N 10 122.262 122.262 121.535 0.727 19605 755 1 3 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.503 -0.146 19605 756 1 3 . 1 1 10 10 LEU C C 10 176.409 176.409 176.044 0.365 19605 757 1 3 . 1 1 10 10 LEU CA C 10 53.604 53.604 54.317 -0.713 19605 758 1 3 . 1 1 10 10 LEU CB C 10 42.775 42.775 42.818 -0.043 19605 759 1 3 . 1 1 10 10 LEU H H 10 7.247 7.247 7.673 -0.426 19605 760 1 3 . 1 1 11 11 ASP N N 11 118.831 118.831 117.593 1.238 19605 761 1 3 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.781 -0.038 19605 762 1 3 . 1 1 11 11 ASP C C 11 176.857 176.857 178.179 -1.322 19605 763 1 3 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.567 -2.121 19605 764 1 3 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.437 -1.068 19605 765 1 3 . 1 1 11 11 ASP H H 11 7.615 7.615 8.289 -0.674 19605 766 1 3 . 1 1 12 12 VAL N N 12 122.055 122.055 121.480 0.575 19605 767 1 3 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.627 -0.394 19605 768 1 3 . 1 1 12 12 VAL C C 12 177.022 177.022 177.479 -0.457 19605 769 1 3 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.664 -0.384 19605 770 1 3 . 1 1 12 12 VAL CB C 12 31.119 31.119 32.031 -0.911 19605 771 1 3 . 1 1 12 12 VAL H H 12 8.422 8.422 8.035 0.387 19605 772 1 3 . 1 1 13 13 ASP N N 13 121.428 121.428 119.714 1.714 19605 773 1 3 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.175 0.026 19605 774 1 3 . 1 1 13 13 ASP C C 13 179.002 179.002 177.541 1.461 19605 775 1 3 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.670 0.300 19605 776 1 3 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.360 -0.726 19605 777 1 3 . 1 1 13 13 ASP H H 13 8.085 8.085 8.639 -0.554 19605 778 1 3 . 1 1 14 14 ALA N N 14 126.571 126.571 120.914 5.657 19605 779 1 3 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.252 -0.194 19605 780 1 3 . 1 1 14 14 ALA C C 14 180.675 180.675 179.010 1.665 19605 781 1 3 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.504 -0.239 19605 782 1 3 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.442 0.030 19605 783 1 3 . 1 1 14 14 ALA H H 14 8.043 8.043 7.743 0.300 19605 784 1 3 . 1 1 15 15 ALA N N 15 124.633 124.633 121.364 3.269 19605 785 1 3 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.008 -0.261 19605 786 1 3 . 1 1 15 15 ALA C C 15 178.507 178.507 179.502 -0.995 19605 787 1 3 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.816 -0.026 19605 788 1 3 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.213 -0.237 19605 789 1 3 . 1 1 15 15 ALA H H 15 8.580 8.580 7.980 0.600 19605 790 1 3 . 1 1 16 16 ARG N N 16 119.849 119.849 118.359 1.490 19605 791 1 3 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.049 -0.422 19605 792 1 3 . 1 1 16 16 ARG C C 16 177.918 177.918 178.538 -0.620 19605 793 1 3 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.351 0.783 19605 794 1 3 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.327 -0.613 19605 795 1 3 . 1 1 16 16 ARG H H 16 8.538 8.538 8.273 0.265 19605 796 1 3 . 1 1 17 17 GLN N N 17 119.457 119.457 118.539 0.918 19605 797 1 3 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.121 -0.423 19605 798 1 3 . 1 1 17 17 GLN C C 17 177.352 177.352 178.666 -1.314 19605 799 1 3 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.694 -0.460 19605 800 1 3 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.364 -0.551 19605 801 1 3 . 1 1 17 17 GLN H H 17 7.522 7.522 7.658 -0.136 19605 802 1 3 . 1 1 18 18 ARG N N 18 120.878 120.878 120.831 0.047 19605 803 1 3 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.023 -0.082 19605 804 1 3 . 1 1 18 18 ARG C C 18 179.662 179.662 178.798 0.864 19605 805 1 3 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.545 -1.201 19605 806 1 3 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.004 -0.538 19605 807 1 3 . 1 1 18 18 ARG H H 18 7.977 7.977 7.614 0.363 19605 808 1 3 . 1 1 19 19 LEU N N 19 120.628 120.628 119.959 0.669 19605 809 1 3 . 1 1 19 19 LEU HA H 19 3.786 3.786 3.750 0.036 19605 810 1 3 . 1 1 19 19 LEU C C 19 178.578 178.578 178.797 -0.219 19605 811 1 3 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.575 -0.590 19605 812 1 3 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.759 0.106 19605 813 1 3 . 1 1 19 19 LEU H H 19 7.829 7.829 7.659 0.170 19605 814 1 3 . 1 1 20 20 LYS N N 20 123.180 123.180 119.590 3.590 19605 815 1 3 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.218 0.139 19605 816 1 3 . 1 1 20 20 LYS C C 20 181.925 181.925 179.574 2.351 19605 817 1 3 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.376 0.091 19605 818 1 3 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.053 -0.107 19605 819 1 3 . 1 1 20 20 LYS H H 20 8.064 8.064 7.625 0.439 19605 820 1 3 . 1 1 21 21 ASP N N 21 124.388 124.388 119.644 4.744 19605 821 1 3 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.532 -0.266 19605 822 1 3 . 1 1 21 21 ASP C C 21 177.281 177.281 176.906 0.375 19605 823 1 3 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.535 0.406 19605 824 1 3 . 1 1 21 21 ASP CB C 21 40.294 40.294 40.941 -0.648 19605 825 1 3 . 1 1 21 21 ASP H H 21 8.756 8.756 7.820 0.936 19605 826 1 3 . 1 1 22 22 ALA N N 22 121.900 121.900 119.911 1.989 19605 827 1 3 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.562 -0.192 19605 828 1 3 . 1 1 22 22 ALA C C 22 176.480 176.480 177.669 -1.189 19605 829 1 3 . 1 1 22 22 ALA CA C 22 51.289 51.289 52.109 -0.820 19605 830 1 3 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.467 -0.665 19605 831 1 3 . 1 1 22 22 ALA H H 22 7.142 7.142 7.552 -0.410 19605 832 1 3 . 1 1 23 23 GLY N N 23 108.215 108.215 106.532 1.683 19605 833 1 3 . 1 1 23 23 GLY C C 23 174.288 174.288 174.338 -0.050 19605 834 1 3 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.367 -0.692 19605 835 1 3 . 1 1 23 23 GLY H H 23 7.823 7.823 7.688 0.135 19605 836 1 3 . 1 1 24 24 PHE N N 24 120.200 120.200 118.816 1.384 19605 837 1 3 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.776 -0.562 19605 838 1 3 . 1 1 24 24 PHE C C 24 175.608 175.608 174.893 0.715 19605 839 1 3 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.542 2.187 19605 840 1 3 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.839 -1.867 19605 841 1 3 . 1 1 24 24 PHE H H 24 7.576 7.576 8.384 -0.808 19605 842 1 3 . 1 1 25 25 GLN N N 25 121.644 121.644 119.159 2.485 19605 843 1 3 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.655 -0.319 19605 844 1 3 . 1 1 25 25 GLN C C 25 175.019 175.019 174.414 0.605 19605 845 1 3 . 1 1 25 25 GLN CA C 25 54.510 54.510 54.996 -0.486 19605 846 1 3 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.273 -1.051 19605 847 1 3 . 1 1 25 25 GLN H H 25 7.813 7.813 8.694 -0.881 19605 848 1 3 . 1 1 26 26 VAL N N 26 124.721 124.721 121.303 3.418 19605 849 1 3 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.254 0.570 19605 850 1 3 . 1 1 26 26 VAL C C 26 176.574 176.574 175.447 1.127 19605 851 1 3 . 1 1 26 26 VAL CA C 26 60.217 60.217 61.197 -0.980 19605 852 1 3 . 1 1 26 26 VAL CB C 26 33.186 33.186 33.395 -0.209 19605 853 1 3 . 1 1 26 26 VAL H H 26 8.580 8.580 8.398 0.182 19605 854 1 3 . 1 1 27 27 ALA N N 27 134.373 134.373 130.628 3.745 19605 855 1 3 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.609 -0.564 19605 856 1 3 . 1 1 27 27 ALA C C 27 178.342 178.342 176.824 1.518 19605 857 1 3 . 1 1 27 27 ALA CA C 27 52.116 52.116 51.848 0.268 19605 858 1 3 . 1 1 27 27 ALA CB C 27 18.472 18.472 20.568 -2.096 19605 859 1 3 . 1 1 27 27 ALA H H 27 8.379 8.379 8.088 0.291 19605 860 1 3 . 1 1 28 28 ASP N N 28 124.562 124.562 118.475 6.087 19605 861 1 3 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.462 -0.274 19605 862 1 3 . 1 1 28 28 ASP C C 28 176.668 176.668 176.310 0.358 19605 863 1 3 . 1 1 28 28 ASP CA C 28 57.596 57.596 54.949 2.647 19605 864 1 3 . 1 1 28 28 ASP CB C 28 41.229 41.229 40.846 0.383 19605 865 1 3 . 1 1 28 28 ASP H H 28 8.614 8.614 8.554 0.060 19605 866 1 3 . 1 1 29 29 GLN N N 29 118.753 118.753 120.513 -1.760 19605 867 1 3 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.321 0.165 19605 868 1 3 . 1 1 29 29 GLN C C 29 177.261 177.261 174.846 2.415 19605 869 1 3 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.127 -1.862 19605 870 1 3 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.223 0.877 19605 871 1 3 . 1 1 29 29 GLN H H 29 7.779 7.779 7.884 -0.105 19605 872 1 3 . 1 1 30 30 THR N N 30 116.584 116.584 117.886 -1.302 19605 873 1 3 . 1 1 30 30 THR HA H 30 4.422 4.422 4.581 -0.159 19605 874 1 3 . 1 1 30 30 THR C C 30 173.887 173.887 173.503 0.384 19605 875 1 3 . 1 1 30 30 THR CA C 30 60.402 60.402 60.685 -0.283 19605 876 1 3 . 1 1 30 30 THR CB C 30 70.054 70.054 70.962 -0.908 19605 877 1 3 . 1 1 30 30 THR H H 30 8.167 8.167 8.283 -0.116 19605 878 1 3 . 1 1 31 31 ASN N N 31 120.109 120.109 124.095 -3.986 19605 879 1 3 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.983 -0.042 19605 880 1 3 . 1 1 31 31 ASN C C 31 173.981 173.981 173.517 0.464 19605 881 1 3 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.672 -1.466 19605 882 1 3 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.795 0.902 19605 883 1 3 . 1 1 31 31 ASN H H 31 8.284 8.284 8.567 -0.283 19605 884 1 3 . 1 1 32 32 SER N N 32 123.634 123.634 118.567 5.067 19605 885 1 3 . 1 1 32 32 SER HA H 32 5.032 5.032 5.098 -0.066 19605 886 1 3 . 1 1 32 32 SER C C 32 174.099 174.099 173.787 0.312 19605 887 1 3 . 1 1 32 32 SER CA C 32 57.596 57.596 57.118 0.478 19605 888 1 3 . 1 1 32 32 SER CB C 32 63.862 63.862 64.785 -0.923 19605 889 1 3 . 1 1 32 32 SER H H 32 8.479 8.479 8.491 -0.012 19605 890 1 3 . 1 1 33 33 VAL N N 33 121.104 121.104 121.440 -0.336 19605 891 1 3 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.586 -0.112 19605 892 1 3 . 1 1 33 33 VAL C C 33 174.406 174.406 174.321 0.085 19605 893 1 3 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.896 -1.458 19605 894 1 3 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.777 -0.607 19605 895 1 3 . 1 1 33 33 VAL H H 33 8.730 8.730 8.631 0.099 19605 896 1 3 . 1 1 34 34 ASN N N 34 123.720 123.720 122.747 0.973 19605 897 1 3 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.622 -0.779 19605 898 1 3 . 1 1 34 34 ASN C C 34 175.443 175.443 175.028 0.415 19605 899 1 3 . 1 1 34 34 ASN CA C 34 53.438 53.438 54.022 -0.584 19605 900 1 3 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.389 -1.822 19605 901 1 3 . 1 1 34 34 ASN H H 34 8.282 8.282 8.672 -0.390 19605 902 1 3 . 1 1 35 35 SER N N 35 120.866 120.866 116.233 4.633 19605 903 1 3 . 1 1 35 35 SER HA H 35 4.292 4.292 4.670 -0.378 19605 904 1 3 . 1 1 35 35 SER C C 35 172.214 172.214 173.391 -1.177 19605 905 1 3 . 1 1 35 35 SER CA C 35 58.531 58.531 58.040 0.491 19605 906 1 3 . 1 1 35 35 SER CB C 35 63.114 63.114 64.544 -1.430 19605 907 1 3 . 1 1 35 35 SER H H 35 7.987 7.987 8.284 -0.297 19605 908 1 3 . 1 1 36 36 SER N N 36 119.438 119.438 116.398 3.040 19605 909 1 3 . 1 1 36 36 SER HA H 36 4.266 4.266 4.564 -0.298 19605 910 1 3 . 1 1 36 36 SER C C 36 175.254 175.254 172.987 2.267 19605 911 1 3 . 1 1 36 36 SER CA C 36 58.195 58.195 58.463 -0.268 19605 912 1 3 . 1 1 36 36 SER CB C 36 63.145 63.145 62.860 0.285 19605 913 1 3 . 1 1 36 36 SER H H 36 7.972 7.972 8.510 -0.538 19605 914 1 3 . 1 1 37 37 ALA N N 37 128.628 128.628 123.351 5.277 19605 915 1 3 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.468 -0.410 19605 916 1 3 . 1 1 37 37 ALA C C 37 177.918 177.918 175.312 2.606 19605 917 1 3 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.650 1.063 19605 918 1 3 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.282 -2.562 19605 919 1 3 . 1 1 37 37 ALA H H 37 8.386 8.386 7.626 0.760 19605 920 1 3 . 1 1 38 38 LYS N N 38 125.515 125.515 120.299 5.216 19605 921 1 3 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.455 -0.643 19605 922 1 3 . 1 1 38 38 LYS C C 38 174.854 174.854 176.222 -1.368 19605 923 1 3 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.589 0.978 19605 924 1 3 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.276 -0.999 19605 925 1 3 . 1 1 38 38 LYS H H 38 8.320 8.320 8.625 -0.305 19605 926 1 3 . 1 1 39 39 TYR N N 39 124.088 124.088 127.508 -3.420 19605 927 1 3 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.250 -0.695 19605 928 1 3 . 1 1 39 39 TYR C C 39 177.328 177.328 177.000 0.328 19605 929 1 3 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.738 1.196 19605 930 1 3 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.660 -0.143 19605 931 1 3 . 1 1 39 39 TYR H H 39 8.248 8.248 8.842 -0.594 19605 932 1 3 . 1 1 40 40 GLY N N 40 117.795 117.795 114.167 3.628 19605 933 1 3 . 1 1 40 40 GLY C C 40 173.534 173.534 173.006 0.528 19605 934 1 3 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.568 0.683 19605 935 1 3 . 1 1 40 40 GLY H H 40 8.454 8.454 8.685 -0.232 19605 936 1 3 . 1 1 41 41 GLU N N 41 124.175 124.175 122.197 1.978 19605 937 1 3 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.644 -0.690 19605 938 1 3 . 1 1 41 41 GLU C C 41 176.103 176.103 175.800 0.303 19605 939 1 3 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.808 0.946 19605 940 1 3 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.258 -0.386 19605 941 1 3 . 1 1 41 41 GLU H H 41 7.930 7.930 7.594 0.336 19605 942 1 3 . 1 1 42 42 VAL N N 42 126.109 126.109 127.534 -1.425 19605 943 1 3 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.118 -0.151 19605 944 1 3 . 1 1 42 42 VAL C C 42 177.682 177.682 175.880 1.802 19605 945 1 3 . 1 1 42 42 VAL CA C 42 63.606 63.606 64.004 -0.398 19605 946 1 3 . 1 1 42 42 VAL CB C 42 31.119 31.119 31.009 0.111 19605 947 1 3 . 1 1 42 42 VAL H H 42 8.409 8.409 8.694 -0.285 19605 948 1 3 . 1 1 43 43 VAL N N 43 123.554 123.554 124.314 -0.760 19605 949 1 3 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.609 -0.304 19605 950 1 3 . 1 1 43 43 VAL C C 43 175.419 175.419 176.155 -0.736 19605 951 1 3 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.174 -0.957 19605 952 1 3 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.516 0.339 19605 953 1 3 . 1 1 43 43 VAL H H 43 8.738 8.738 7.901 0.837 19605 954 1 3 . 1 1 44 44 GLY N N 44 110.450 110.450 110.752 -0.302 19605 955 1 3 . 1 1 44 44 GLY C C 44 171.271 171.271 172.364 -1.093 19605 956 1 3 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.903 -0.227 19605 957 1 3 . 1 1 44 44 GLY H H 44 7.344 7.344 7.759 -0.415 19605 958 1 3 . 1 1 45 45 THR N N 45 109.623 109.623 115.779 -6.156 19605 959 1 3 . 1 1 45 45 THR HA H 45 4.912 4.912 5.140 -0.228 19605 960 1 3 . 1 1 45 45 THR C C 45 173.039 173.039 174.214 -1.175 19605 961 1 3 . 1 1 45 45 THR CA C 45 58.852 58.852 59.196 -0.344 19605 962 1 3 . 1 1 45 45 THR CB C 45 72.373 72.373 72.096 0.277 19605 963 1 3 . 1 1 45 45 THR H H 45 8.005 8.005 7.884 0.121 19605 964 1 3 . 1 1 46 46 SER N N 46 115.547 115.547 117.911 -2.364 19605 965 1 3 . 1 1 46 46 SER HA H 46 4.396 4.396 4.427 -0.031 19605 966 1 3 . 1 1 46 46 SER CA C 46 54.603 54.603 60.618 -6.015 19605 967 1 3 . 1 1 46 46 SER CB C 46 64.891 64.891 62.175 2.716 19605 968 1 3 . 1 1 46 46 SER H H 46 8.467 8.467 8.450 0.017 19605 969 1 3 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.480 0.244 19605 970 1 3 . 1 1 47 47 PRO C C 47 174.783 174.783 175.966 -1.183 19605 971 1 3 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.946 0.074 19605 972 1 3 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.122 2.965 19605 973 1 3 . 1 1 48 48 SER N N 48 115.136 115.136 116.350 -1.214 19605 974 1 3 . 1 1 48 48 SER HA H 48 3.864 3.864 4.581 -0.717 19605 975 1 3 . 1 1 48 48 SER C C 48 173.086 173.086 175.018 -1.932 19605 976 1 3 . 1 1 48 48 SER CA C 48 56.754 56.754 57.322 -0.568 19605 977 1 3 . 1 1 48 48 SER CB C 48 64.763 64.763 65.290 -0.526 19605 978 1 3 . 1 1 48 48 SER H H 48 8.286 8.286 8.159 0.127 19605 979 1 3 . 1 1 49 49 GLY N N 49 112.028 112.028 113.197 -1.169 19605 980 1 3 . 1 1 49 49 GLY C C 49 173.604 173.604 173.880 -0.276 19605 981 1 3 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.288 -1.447 19605 982 1 3 . 1 1 49 49 GLY H H 49 8.727 8.727 8.682 0.045 19605 983 1 3 . 1 1 50 50 GLN N N 50 125.944 125.944 127.236 -1.292 19605 984 1 3 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.479 0.132 19605 985 1 3 . 1 1 50 50 GLN C C 50 175.513 175.513 174.557 0.956 19605 986 1 3 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.504 0.222 19605 987 1 3 . 1 1 50 50 GLN CB C 50 30.287 30.287 29.058 1.229 19605 988 1 3 . 1 1 50 50 GLN H H 50 8.317 8.317 8.331 -0.014 19605 989 1 3 . 1 1 51 51 THR N N 51 121.904 121.904 119.484 2.420 19605 990 1 3 . 1 1 51 51 THR HA H 51 4.512 4.512 4.637 -0.125 19605 991 1 3 . 1 1 51 51 THR C C 51 172.968 172.968 173.500 -0.532 19605 992 1 3 . 1 1 51 51 THR CA C 51 59.747 59.747 61.194 -1.447 19605 993 1 3 . 1 1 51 51 THR CB C 51 69.193 69.193 71.612 -2.418 19605 994 1 3 . 1 1 51 51 THR H H 51 8.676 8.676 8.229 0.447 19605 995 1 3 . 1 1 52 52 ILE N N 52 125.386 125.386 125.338 0.048 19605 996 1 3 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.509 -0.264 19605 997 1 3 . 1 1 52 52 ILE CA C 52 58.812 58.812 57.693 1.119 19605 998 1 3 . 1 1 52 52 ILE CB C 52 39.078 39.078 39.983 -0.905 19605 999 1 3 . 1 1 52 52 ILE H H 52 7.932 7.932 8.668 -0.736 19605 1000 1 3 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.378 -0.391 19605 1001 1 3 . 1 1 53 53 PRO C C 53 177.611 177.611 176.770 0.841 19605 1002 1 3 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.077 0.873 19605 1003 1 3 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.433 0.627 19605 1004 1 3 . 1 1 54 54 GLY N N 54 112.497 112.497 111.583 0.914 19605 1005 1 3 . 1 1 54 54 GLY C C 54 174.123 174.123 174.364 -0.241 19605 1006 1 3 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.045 0.321 19605 1007 1 3 . 1 1 54 54 GLY H H 54 7.868 7.868 8.681 -0.813 19605 1008 1 3 . 1 1 55 55 SER N N 55 116.653 116.653 117.082 -0.429 19605 1009 1 3 . 1 1 55 55 SER HA H 55 4.253 4.253 4.813 -0.560 19605 1010 1 3 . 1 1 55 55 SER C C 55 172.261 172.261 173.840 -1.579 19605 1011 1 3 . 1 1 55 55 SER CA C 55 59.467 59.467 57.667 1.800 19605 1012 1 3 . 1 1 55 55 SER CB C 55 64.049 64.049 65.100 -1.051 19605 1013 1 3 . 1 1 55 55 SER H H 55 7.412 7.412 8.196 -0.784 19605 1014 1 3 . 1 1 56 56 ILE N N 56 122.704 122.704 122.920 -0.216 19605 1015 1 3 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.305 -0.176 19605 1016 1 3 . 1 1 56 56 ILE C C 56 176.338 176.338 174.929 1.409 19605 1017 1 3 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.105 0.606 19605 1018 1 3 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.616 -0.005 19605 1019 1 3 . 1 1 56 56 ILE H H 56 8.139 8.139 8.313 -0.174 19605 1020 1 3 . 1 1 57 57 VAL N N 57 131.677 131.677 128.459 3.218 19605 1021 1 3 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.368 0.028 19605 1022 1 3 . 1 1 57 57 VAL C C 57 174.382 174.382 174.987 -0.605 19605 1023 1 3 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.873 -0.910 19605 1024 1 3 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.536 2.053 19605 1025 1 3 . 1 1 57 57 VAL H H 57 8.851 8.851 8.717 0.134 19605 1026 1 3 . 1 1 58 58 THR N N 58 125.399 125.399 123.763 1.636 19605 1027 1 3 . 1 1 58 58 THR HA H 58 4.551 4.551 4.623 -0.072 19605 1028 1 3 . 1 1 58 58 THR C C 58 174.712 174.712 173.500 1.212 19605 1029 1 3 . 1 1 58 58 THR CA C 58 61.431 61.431 61.937 -0.506 19605 1030 1 3 . 1 1 58 58 THR CB C 58 69.661 69.661 70.382 -0.721 19605 1031 1 3 . 1 1 58 58 THR H H 58 8.745 8.745 8.512 0.233 19605 1032 1 3 . 1 1 59 59 ILE N N 59 132.342 132.342 127.154 5.188 19605 1033 1 3 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.255 -0.677 19605 1034 1 3 . 1 1 59 59 ILE C C 59 173.675 173.675 174.427 -0.752 19605 1035 1 3 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.046 1.881 19605 1036 1 3 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.005 0.389 19605 1037 1 3 . 1 1 59 59 ILE H H 59 9.185 9.185 8.822 0.363 19605 1038 1 3 . 1 1 60 60 GLN N N 60 127.338 127.338 125.887 1.451 19605 1039 1 3 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.257 -0.115 19605 1040 1 3 . 1 1 60 60 GLN C C 60 176.008 176.008 175.134 0.874 19605 1041 1 3 . 1 1 60 60 GLN CA C 60 52.612 52.612 53.964 -1.352 19605 1042 1 3 . 1 1 60 60 GLN CB C 60 28.887 28.887 31.917 -3.030 19605 1043 1 3 . 1 1 60 60 GLN H H 60 8.290 8.290 8.862 -0.572 19605 1044 1 3 . 1 1 61 61 ILE N N 61 120.103 120.103 117.590 2.513 19605 1045 1 3 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.154 -0.109 19605 1046 1 3 . 1 1 61 61 ILE C C 61 173.392 173.392 174.427 -1.035 19605 1047 1 3 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.160 -0.588 19605 1048 1 3 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.936 0.041 19605 1049 1 3 . 1 1 61 61 ILE H H 61 8.750 8.750 7.947 0.803 19605 1050 1 3 . 1 1 62 62 SER N N 62 116.310 116.310 115.899 0.411 19605 1051 1 3 . 1 1 62 62 SER HA H 62 4.438 4.438 5.403 -0.965 19605 1052 1 3 . 1 1 62 62 SER C C 62 177.140 177.140 174.657 2.483 19605 1053 1 3 . 1 1 62 62 SER CA C 62 57.035 57.035 56.496 0.539 19605 1054 1 3 . 1 1 62 62 SER CB C 62 62.830 62.830 64.389 -1.559 19605 1055 1 3 . 1 1 62 62 SER H H 62 8.343 8.343 8.135 0.208 19605 1056 1 3 . 1 1 63 63 ASN N N 63 128.919 128.919 123.102 5.817 19605 1057 1 3 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.190 -0.613 19605 1058 1 3 . 1 1 63 63 ASN C C 63 176.645 176.645 175.470 1.175 19605 1059 1 3 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.029 0.713 19605 1060 1 3 . 1 1 63 63 ASN CB C 63 39.105 39.105 38.624 0.481 19605 1061 1 3 . 1 1 63 63 ASN H H 63 8.805 8.805 8.931 -0.126 19605 1062 1 3 . 1 1 64 64 GLY N N 64 111.519 111.519 110.700 0.819 19605 1063 1 3 . 1 1 64 64 GLY C C 64 173.227 173.227 174.189 -0.962 19605 1064 1 3 . 1 1 64 64 GLY CA C 64 46.052 46.052 45.393 0.659 19605 1065 1 3 . 1 1 64 64 GLY H H 64 8.676 8.676 8.818 -0.142 19605 1066 1 4 . 1 1 2 2 SER N N 2 116.880 116.880 114.673 2.207 19605 1067 1 4 . 1 1 2 2 SER HA H 2 4.512 4.512 4.949 -0.437 19605 1068 1 4 . 1 1 2 2 SER C C 2 173.604 173.604 173.160 0.444 19605 1069 1 4 . 1 1 2 2 SER CA C 2 57.780 57.780 58.024 -0.244 19605 1070 1 4 . 1 1 2 2 SER CB C 2 64.797 64.797 64.514 0.283 19605 1071 1 4 . 1 1 2 2 SER H H 2 8.343 8.343 7.890 0.453 19605 1072 1 4 . 1 1 3 3 ARG N N 3 125.018 125.018 119.485 5.533 19605 1073 1 4 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.094 0.294 19605 1074 1 4 . 1 1 3 3 ARG C C 3 176.056 176.056 175.224 0.832 19605 1075 1 4 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.594 -1.502 19605 1076 1 4 . 1 1 3 3 ARG CB C 3 30.458 30.458 29.165 1.294 19605 1077 1 4 . 1 1 3 3 ARG H H 3 8.135 8.135 8.616 -0.481 19605 1078 1 4 . 1 1 4 4 VAL N N 4 130.625 130.625 122.924 7.701 19605 1079 1 4 . 1 1 4 4 VAL HA H 4 3.629 3.629 3.852 -0.223 19605 1080 1 4 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.246 -0.029 19605 1081 1 4 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.481 -0.783 19605 1082 1 4 . 1 1 4 4 VAL H H 4 8.329 8.329 7.932 0.397 19605 1083 1 4 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.449 -0.282 19605 1084 1 4 . 1 1 5 5 PRO C C 5 175.420 175.420 175.853 -0.433 19605 1085 1 4 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.364 -0.081 19605 1086 1 4 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.227 -0.529 19605 1087 1 4 . 1 1 6 6 SER N N 6 117.470 117.470 117.368 0.102 19605 1088 1 4 . 1 1 6 6 SER HA H 6 4.240 4.240 4.495 -0.255 19605 1089 1 4 . 1 1 6 6 SER C C 6 176.008 176.008 174.574 1.434 19605 1090 1 4 . 1 1 6 6 SER CA C 6 58.251 58.251 58.064 0.187 19605 1091 1 4 . 1 1 6 6 SER CB C 6 62.779 62.779 63.371 -0.592 19605 1092 1 4 . 1 1 6 6 SER H H 6 8.303 8.303 8.359 -0.056 19605 1093 1 4 . 1 1 7 7 VAL N N 7 120.063 120.063 121.227 -1.164 19605 1094 1 4 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.316 -0.039 19605 1095 1 4 . 1 1 7 7 VAL C C 7 173.746 173.746 175.698 -1.952 19605 1096 1 4 . 1 1 7 7 VAL CA C 7 59.059 59.059 60.186 -1.127 19605 1097 1 4 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.030 -0.001 19605 1098 1 4 . 1 1 7 7 VAL H H 7 8.733 8.733 8.496 0.237 19605 1099 1 4 . 1 1 8 8 ALA N N 8 124.872 124.872 123.254 1.618 19605 1100 1 4 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.329 -0.738 19605 1101 1 4 . 1 1 8 8 ALA C C 8 178.648 178.648 178.671 -0.023 19605 1102 1 4 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.218 -0.193 19605 1103 1 4 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.490 -1.176 19605 1104 1 4 . 1 1 8 8 ALA H H 8 6.818 6.818 7.604 -0.786 19605 1105 1 4 . 1 1 9 9 GLY N N 9 112.849 112.849 112.334 0.515 19605 1106 1 4 . 1 1 9 9 GLY C C 9 174.194 174.194 174.383 -0.189 19605 1107 1 4 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.017 -0.093 19605 1108 1 4 . 1 1 9 9 GLY H H 9 8.488 8.488 8.901 -0.413 19605 1109 1 4 . 1 1 10 10 LEU N N 10 122.262 122.262 121.672 0.590 19605 1110 1 4 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.615 -0.258 19605 1111 1 4 . 1 1 10 10 LEU C C 10 176.409 176.409 175.798 0.611 19605 1112 1 4 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.553 0.051 19605 1113 1 4 . 1 1 10 10 LEU CB C 10 42.775 42.775 42.868 -0.093 19605 1114 1 4 . 1 1 10 10 LEU H H 10 7.247 7.247 7.775 -0.528 19605 1115 1 4 . 1 1 11 11 ASP N N 11 118.831 118.831 118.912 -0.081 19605 1116 1 4 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.748 -0.005 19605 1117 1 4 . 1 1 11 11 ASP C C 11 176.857 176.857 178.105 -1.248 19605 1118 1 4 . 1 1 11 11 ASP CA C 11 52.446 52.446 53.748 -1.302 19605 1119 1 4 . 1 1 11 11 ASP CB C 11 41.369 41.369 43.005 -1.636 19605 1120 1 4 . 1 1 11 11 ASP H H 11 7.615 7.615 8.253 -0.638 19605 1121 1 4 . 1 1 12 12 VAL N N 12 122.055 122.055 122.677 -0.622 19605 1122 1 4 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.668 -0.435 19605 1123 1 4 . 1 1 12 12 VAL C C 12 177.022 177.022 177.825 -0.803 19605 1124 1 4 . 1 1 12 12 VAL CA C 12 67.280 67.280 66.568 0.712 19605 1125 1 4 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.453 -0.334 19605 1126 1 4 . 1 1 12 12 VAL H H 12 8.422 8.422 8.032 0.390 19605 1127 1 4 . 1 1 13 13 ASP N N 13 121.428 121.428 119.395 2.033 19605 1128 1 4 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.339 -0.138 19605 1129 1 4 . 1 1 13 13 ASP C C 13 179.002 179.002 178.087 0.915 19605 1130 1 4 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.569 0.401 19605 1131 1 4 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.500 -0.866 19605 1132 1 4 . 1 1 13 13 ASP H H 13 8.085 8.085 8.043 0.042 19605 1133 1 4 . 1 1 14 14 ALA N N 14 126.571 126.571 121.435 5.136 19605 1134 1 4 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.137 -0.079 19605 1135 1 4 . 1 1 14 14 ALA C C 14 180.675 180.675 179.114 1.561 19605 1136 1 4 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.615 -0.350 19605 1137 1 4 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.431 0.041 19605 1138 1 4 . 1 1 14 14 ALA H H 14 8.043 8.043 7.195 0.848 19605 1139 1 4 . 1 1 15 15 ALA N N 15 124.633 124.633 121.357 3.276 19605 1140 1 4 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.006 -0.259 19605 1141 1 4 . 1 1 15 15 ALA C C 15 178.507 178.507 179.460 -0.953 19605 1142 1 4 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.842 -0.052 19605 1143 1 4 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.104 -0.128 19605 1144 1 4 . 1 1 15 15 ALA H H 15 8.580 8.580 8.082 0.498 19605 1145 1 4 . 1 1 16 16 ARG N N 16 119.849 119.849 118.522 1.327 19605 1146 1 4 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.048 -0.421 19605 1147 1 4 . 1 1 16 16 ARG C C 16 177.918 177.918 178.396 -0.478 19605 1148 1 4 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.504 0.630 19605 1149 1 4 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.257 -0.543 19605 1150 1 4 . 1 1 16 16 ARG H H 16 8.538 8.538 8.282 0.256 19605 1151 1 4 . 1 1 17 17 GLN N N 17 119.457 119.457 118.478 0.979 19605 1152 1 4 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.095 -0.397 19605 1153 1 4 . 1 1 17 17 GLN C C 17 177.352 177.352 178.668 -1.316 19605 1154 1 4 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.852 -0.619 19605 1155 1 4 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.547 -0.735 19605 1156 1 4 . 1 1 17 17 GLN H H 17 7.522 7.522 7.602 -0.080 19605 1157 1 4 . 1 1 18 18 ARG N N 18 120.878 120.878 120.814 0.064 19605 1158 1 4 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.067 -0.126 19605 1159 1 4 . 1 1 18 18 ARG C C 18 179.662 179.662 178.866 0.796 19605 1160 1 4 . 1 1 18 18 ARG CA C 18 58.344 58.344 58.686 -0.342 19605 1161 1 4 . 1 1 18 18 ARG CB C 18 29.466 29.466 29.721 -0.255 19605 1162 1 4 . 1 1 18 18 ARG H H 18 7.977 7.977 7.655 0.322 19605 1163 1 4 . 1 1 19 19 LEU N N 19 120.628 120.628 120.320 0.308 19605 1164 1 4 . 1 1 19 19 LEU HA H 19 3.786 3.786 3.798 -0.012 19605 1165 1 4 . 1 1 19 19 LEU C C 19 178.578 178.578 179.031 -0.453 19605 1166 1 4 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.614 -0.629 19605 1167 1 4 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.750 0.115 19605 1168 1 4 . 1 1 19 19 LEU H H 19 7.829 7.829 7.700 0.129 19605 1169 1 4 . 1 1 20 20 LYS N N 20 123.180 123.180 119.427 3.753 19605 1170 1 4 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.264 0.093 19605 1171 1 4 . 1 1 20 20 LYS C C 20 181.925 181.925 179.793 2.132 19605 1172 1 4 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.513 -0.046 19605 1173 1 4 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.148 -0.202 19605 1174 1 4 . 1 1 20 20 LYS H H 20 8.064 8.064 7.692 0.372 19605 1175 1 4 . 1 1 21 21 ASP N N 21 124.388 124.388 119.871 4.517 19605 1176 1 4 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.534 -0.268 19605 1177 1 4 . 1 1 21 21 ASP C C 21 177.281 177.281 176.873 0.408 19605 1178 1 4 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.611 0.330 19605 1179 1 4 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.071 -0.777 19605 1180 1 4 . 1 1 21 21 ASP H H 21 8.756 8.756 7.888 0.868 19605 1181 1 4 . 1 1 22 22 ALA N N 22 121.900 121.900 119.095 2.805 19605 1182 1 4 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.757 -0.387 19605 1183 1 4 . 1 1 22 22 ALA C C 22 176.480 176.480 177.758 -1.278 19605 1184 1 4 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.713 -0.424 19605 1185 1 4 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.236 -0.434 19605 1186 1 4 . 1 1 22 22 ALA H H 22 7.142 7.142 7.506 -0.364 19605 1187 1 4 . 1 1 23 23 GLY N N 23 108.215 108.215 106.561 1.654 19605 1188 1 4 . 1 1 23 23 GLY C C 23 174.288 174.288 174.577 -0.289 19605 1189 1 4 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.365 -0.689 19605 1190 1 4 . 1 1 23 23 GLY H H 23 7.823 7.823 7.622 0.201 19605 1191 1 4 . 1 1 24 24 PHE N N 24 120.200 120.200 118.693 1.507 19605 1192 1 4 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.766 -0.552 19605 1193 1 4 . 1 1 24 24 PHE C C 24 175.608 175.608 174.585 1.023 19605 1194 1 4 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.483 2.246 19605 1195 1 4 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.659 -1.687 19605 1196 1 4 . 1 1 24 24 PHE H H 24 7.576 7.576 8.288 -0.712 19605 1197 1 4 . 1 1 25 25 GLN N N 25 121.644 121.644 119.113 2.531 19605 1198 1 4 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.641 -0.305 19605 1199 1 4 . 1 1 25 25 GLN C C 25 175.019 175.019 174.470 0.549 19605 1200 1 4 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.242 -0.732 19605 1201 1 4 . 1 1 25 25 GLN CB C 25 31.222 31.222 31.878 -0.656 19605 1202 1 4 . 1 1 25 25 GLN H H 25 7.813 7.813 8.685 -0.872 19605 1203 1 4 . 1 1 26 26 VAL N N 26 124.721 124.721 122.442 2.279 19605 1204 1 4 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.231 0.593 19605 1205 1 4 . 1 1 26 26 VAL C C 26 176.574 176.574 175.245 1.329 19605 1206 1 4 . 1 1 26 26 VAL CA C 26 60.217 60.217 61.451 -1.234 19605 1207 1 4 . 1 1 26 26 VAL CB C 26 33.186 33.186 32.464 0.722 19605 1208 1 4 . 1 1 26 26 VAL H H 26 8.580 8.580 8.472 0.108 19605 1209 1 4 . 1 1 27 27 ALA N N 27 134.373 134.373 130.570 3.803 19605 1210 1 4 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.517 -0.472 19605 1211 1 4 . 1 1 27 27 ALA C C 27 178.342 178.342 178.010 0.332 19605 1212 1 4 . 1 1 27 27 ALA CA C 27 52.116 52.116 51.697 0.419 19605 1213 1 4 . 1 1 27 27 ALA CB C 27 18.472 18.472 20.264 -1.792 19605 1214 1 4 . 1 1 27 27 ALA H H 27 8.379 8.379 8.158 0.221 19605 1215 1 4 . 1 1 28 28 ASP N N 28 124.562 124.562 118.447 6.115 19605 1216 1 4 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.373 -0.185 19605 1217 1 4 . 1 1 28 28 ASP C C 28 176.668 176.668 176.128 0.540 19605 1218 1 4 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.401 2.195 19605 1219 1 4 . 1 1 28 28 ASP CB C 28 41.229 41.229 40.812 0.417 19605 1220 1 4 . 1 1 28 28 ASP H H 28 8.614 8.614 8.668 -0.054 19605 1221 1 4 . 1 1 29 29 GLN N N 29 118.753 118.753 120.274 -1.521 19605 1222 1 4 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.201 0.285 19605 1223 1 4 . 1 1 29 29 GLN C C 29 177.261 177.261 174.983 2.278 19605 1224 1 4 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.047 -1.782 19605 1225 1 4 . 1 1 29 29 GLN CB C 29 30.100 30.100 28.454 1.646 19605 1226 1 4 . 1 1 29 29 GLN H H 29 7.779 7.779 7.849 -0.070 19605 1227 1 4 . 1 1 30 30 THR N N 30 116.584 116.584 119.367 -2.783 19605 1228 1 4 . 1 1 30 30 THR HA H 30 4.422 4.422 4.842 -0.420 19605 1229 1 4 . 1 1 30 30 THR C C 30 173.887 173.887 174.156 -0.269 19605 1230 1 4 . 1 1 30 30 THR CA C 30 60.402 60.402 60.160 0.242 19605 1231 1 4 . 1 1 30 30 THR CB C 30 70.054 70.054 70.083 -0.029 19605 1232 1 4 . 1 1 30 30 THR H H 30 8.167 8.167 7.985 0.182 19605 1233 1 4 . 1 1 31 31 ASN N N 31 120.109 120.109 124.417 -4.308 19605 1234 1 4 . 1 1 31 31 ASN HA H 31 4.941 4.941 5.023 -0.082 19605 1235 1 4 . 1 1 31 31 ASN C C 31 173.981 173.981 173.323 0.658 19605 1236 1 4 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.723 -1.517 19605 1237 1 4 . 1 1 31 31 ASN CB C 31 41.697 41.697 41.031 0.666 19605 1238 1 4 . 1 1 31 31 ASN H H 31 8.284 8.284 8.326 -0.042 19605 1239 1 4 . 1 1 32 32 SER N N 32 123.634 123.634 120.458 3.176 19605 1240 1 4 . 1 1 32 32 SER HA H 32 5.032 5.032 5.162 -0.130 19605 1241 1 4 . 1 1 32 32 SER C C 32 174.099 174.099 173.749 0.350 19605 1242 1 4 . 1 1 32 32 SER CA C 32 57.596 57.596 57.119 0.477 19605 1243 1 4 . 1 1 32 32 SER CB C 32 63.862 63.862 65.046 -1.184 19605 1244 1 4 . 1 1 32 32 SER H H 32 8.479 8.479 8.490 -0.011 19605 1245 1 4 . 1 1 33 33 VAL N N 33 121.104 121.104 118.616 2.488 19605 1246 1 4 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.601 -0.127 19605 1247 1 4 . 1 1 33 33 VAL C C 33 174.406 174.406 174.305 0.101 19605 1248 1 4 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.633 -1.195 19605 1249 1 4 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.573 -0.403 19605 1250 1 4 . 1 1 33 33 VAL H H 33 8.730 8.730 8.506 0.224 19605 1251 1 4 . 1 1 34 34 ASN N N 34 123.720 123.720 123.068 0.652 19605 1252 1 4 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.614 -0.771 19605 1253 1 4 . 1 1 34 34 ASN C C 34 175.443 175.443 175.131 0.312 19605 1254 1 4 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.079 0.359 19605 1255 1 4 . 1 1 34 34 ASN CB C 34 37.567 37.567 38.947 -1.380 19605 1256 1 4 . 1 1 34 34 ASN H H 34 8.282 8.282 8.678 -0.396 19605 1257 1 4 . 1 1 35 35 SER N N 35 120.866 120.866 117.168 3.698 19605 1258 1 4 . 1 1 35 35 SER HA H 35 4.292 4.292 4.744 -0.452 19605 1259 1 4 . 1 1 35 35 SER C C 35 172.214 172.214 173.261 -1.047 19605 1260 1 4 . 1 1 35 35 SER CA C 35 58.531 58.531 57.631 0.900 19605 1261 1 4 . 1 1 35 35 SER CB C 35 63.114 63.114 64.262 -1.148 19605 1262 1 4 . 1 1 35 35 SER H H 35 7.987 7.987 8.301 -0.314 19605 1263 1 4 . 1 1 36 36 SER N N 36 119.438 119.438 114.539 4.899 19605 1264 1 4 . 1 1 36 36 SER HA H 36 4.266 4.266 4.693 -0.427 19605 1265 1 4 . 1 1 36 36 SER C C 36 175.254 175.254 174.481 0.773 19605 1266 1 4 . 1 1 36 36 SER CA C 36 58.195 58.195 57.613 0.582 19605 1267 1 4 . 1 1 36 36 SER CB C 36 63.145 63.145 62.847 0.298 19605 1268 1 4 . 1 1 36 36 SER H H 36 7.972 7.972 8.470 -0.498 19605 1269 1 4 . 1 1 37 37 ALA N N 37 128.628 128.628 124.820 3.808 19605 1270 1 4 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.585 -0.527 19605 1271 1 4 . 1 1 37 37 ALA C C 37 177.918 177.918 175.756 2.162 19605 1272 1 4 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.779 0.935 19605 1273 1 4 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.686 -2.966 19605 1274 1 4 . 1 1 37 37 ALA H H 37 8.386 8.386 7.714 0.672 19605 1275 1 4 . 1 1 38 38 LYS N N 38 125.515 125.515 119.858 5.657 19605 1276 1 4 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.447 -0.635 19605 1277 1 4 . 1 1 38 38 LYS C C 38 174.854 174.854 176.088 -1.234 19605 1278 1 4 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.379 1.188 19605 1279 1 4 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.624 -1.347 19605 1280 1 4 . 1 1 38 38 LYS H H 38 8.320 8.320 8.546 -0.226 19605 1281 1 4 . 1 1 39 39 TYR N N 39 124.088 124.088 126.304 -2.216 19605 1282 1 4 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.424 -0.869 19605 1283 1 4 . 1 1 39 39 TYR C C 39 177.328 177.328 176.919 0.409 19605 1284 1 4 . 1 1 39 39 TYR CA C 39 59.934 59.934 59.133 0.800 19605 1285 1 4 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.598 -0.081 19605 1286 1 4 . 1 1 39 39 TYR H H 39 8.248 8.248 8.673 -0.425 19605 1287 1 4 . 1 1 40 40 GLY N N 40 117.795 117.795 114.818 2.977 19605 1288 1 4 . 1 1 40 40 GLY C C 40 173.534 173.534 173.248 0.286 19605 1289 1 4 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.688 0.562 19605 1290 1 4 . 1 1 40 40 GLY H H 40 8.454 8.454 8.341 0.113 19605 1291 1 4 . 1 1 41 41 GLU N N 41 124.175 124.175 122.303 1.872 19605 1292 1 4 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.595 -0.641 19605 1293 1 4 . 1 1 41 41 GLU C C 41 176.103 176.103 175.584 0.519 19605 1294 1 4 . 1 1 41 41 GLU CA C 41 56.754 56.754 56.006 0.748 19605 1295 1 4 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.062 -0.192 19605 1296 1 4 . 1 1 41 41 GLU H H 41 7.930 7.930 7.654 0.276 19605 1297 1 4 . 1 1 42 42 VAL N N 42 126.109 126.109 126.995 -0.886 19605 1298 1 4 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.241 -0.274 19605 1299 1 4 . 1 1 42 42 VAL C C 42 177.682 177.682 176.088 1.594 19605 1300 1 4 . 1 1 42 42 VAL CA C 42 63.606 63.606 62.701 0.905 19605 1301 1 4 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.641 0.478 19605 1302 1 4 . 1 1 42 42 VAL H H 42 8.409 8.409 8.609 -0.200 19605 1303 1 4 . 1 1 43 43 VAL N N 43 123.554 123.554 123.957 -0.403 19605 1304 1 4 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.595 -0.290 19605 1305 1 4 . 1 1 43 43 VAL C C 43 175.419 175.419 175.921 -0.502 19605 1306 1 4 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.694 -1.477 19605 1307 1 4 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.907 -0.052 19605 1308 1 4 . 1 1 43 43 VAL H H 43 8.738 8.738 7.851 0.887 19605 1309 1 4 . 1 1 44 44 GLY N N 44 110.450 110.450 110.278 0.172 19605 1310 1 4 . 1 1 44 44 GLY C C 44 171.271 171.271 172.393 -1.122 19605 1311 1 4 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.547 0.129 19605 1312 1 4 . 1 1 44 44 GLY H H 44 7.344 7.344 7.608 -0.264 19605 1313 1 4 . 1 1 45 45 THR N N 45 109.623 109.623 115.726 -6.103 19605 1314 1 4 . 1 1 45 45 THR HA H 45 4.912 4.912 5.110 -0.198 19605 1315 1 4 . 1 1 45 45 THR C C 45 173.039 173.039 174.083 -1.044 19605 1316 1 4 . 1 1 45 45 THR CA C 45 58.852 58.852 59.499 -0.647 19605 1317 1 4 . 1 1 45 45 THR CB C 45 72.373 72.373 72.165 0.208 19605 1318 1 4 . 1 1 45 45 THR H H 45 8.005 8.005 7.928 0.077 19605 1319 1 4 . 1 1 46 46 SER N N 46 115.547 115.547 117.686 -2.139 19605 1320 1 4 . 1 1 46 46 SER HA H 46 4.396 4.396 4.489 -0.093 19605 1321 1 4 . 1 1 46 46 SER CA C 46 54.603 54.603 60.228 -5.625 19605 1322 1 4 . 1 1 46 46 SER CB C 46 64.891 64.891 62.157 2.733 19605 1323 1 4 . 1 1 46 46 SER H H 46 8.467 8.467 8.490 -0.023 19605 1324 1 4 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.453 0.271 19605 1325 1 4 . 1 1 47 47 PRO C C 47 174.783 174.783 176.020 -1.237 19605 1326 1 4 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.979 0.041 19605 1327 1 4 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.118 2.969 19605 1328 1 4 . 1 1 48 48 SER N N 48 115.136 115.136 116.410 -1.274 19605 1329 1 4 . 1 1 48 48 SER HA H 48 3.864 3.864 4.575 -0.711 19605 1330 1 4 . 1 1 48 48 SER C C 48 173.086 173.086 174.936 -1.850 19605 1331 1 4 . 1 1 48 48 SER CA C 48 56.754 56.754 57.409 -0.655 19605 1332 1 4 . 1 1 48 48 SER CB C 48 64.763 64.763 65.461 -0.698 19605 1333 1 4 . 1 1 48 48 SER H H 48 8.286 8.286 8.151 0.135 19605 1334 1 4 . 1 1 49 49 GLY N N 49 112.028 112.028 113.034 -1.006 19605 1335 1 4 . 1 1 49 49 GLY C C 49 173.604 173.604 173.770 -0.166 19605 1336 1 4 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.138 -1.297 19605 1337 1 4 . 1 1 49 49 GLY H H 49 8.727 8.727 8.664 0.064 19605 1338 1 4 . 1 1 50 50 GLN N N 50 125.944 125.944 126.998 -1.054 19605 1339 1 4 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.478 0.134 19605 1340 1 4 . 1 1 50 50 GLN C C 50 175.513 175.513 174.637 0.876 19605 1341 1 4 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.455 0.272 19605 1342 1 4 . 1 1 50 50 GLN CB C 50 30.287 30.287 29.099 1.188 19605 1343 1 4 . 1 1 50 50 GLN H H 50 8.317 8.317 8.391 -0.074 19605 1344 1 4 . 1 1 51 51 THR N N 51 121.904 121.904 119.360 2.544 19605 1345 1 4 . 1 1 51 51 THR HA H 51 4.512 4.512 4.666 -0.154 19605 1346 1 4 . 1 1 51 51 THR C C 51 172.968 172.968 173.620 -0.652 19605 1347 1 4 . 1 1 51 51 THR CA C 51 59.747 59.747 61.052 -1.305 19605 1348 1 4 . 1 1 51 51 THR CB C 51 69.193 69.193 71.775 -2.582 19605 1349 1 4 . 1 1 51 51 THR H H 51 8.676 8.676 8.207 0.469 19605 1350 1 4 . 1 1 52 52 ILE N N 52 125.386 125.386 125.083 0.303 19605 1351 1 4 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.427 -0.182 19605 1352 1 4 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.878 -0.066 19605 1353 1 4 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.553 0.525 19605 1354 1 4 . 1 1 52 52 ILE H H 52 7.932 7.932 8.689 -0.757 19605 1355 1 4 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.413 -0.426 19605 1356 1 4 . 1 1 53 53 PRO C C 53 177.611 177.611 177.108 0.503 19605 1357 1 4 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.176 0.774 19605 1358 1 4 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.597 0.463 19605 1359 1 4 . 1 1 54 54 GLY N N 54 112.497 112.497 111.997 0.500 19605 1360 1 4 . 1 1 54 54 GLY C C 54 174.123 174.123 174.414 -0.291 19605 1361 1 4 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.028 0.338 19605 1362 1 4 . 1 1 54 54 GLY H H 54 7.868 7.868 8.768 -0.900 19605 1363 1 4 . 1 1 55 55 SER N N 55 116.653 116.653 116.701 -0.048 19605 1364 1 4 . 1 1 55 55 SER HA H 55 4.253 4.253 4.779 -0.526 19605 1365 1 4 . 1 1 55 55 SER C C 55 172.261 172.261 173.769 -1.508 19605 1366 1 4 . 1 1 55 55 SER CA C 55 59.467 59.467 57.399 2.068 19605 1367 1 4 . 1 1 55 55 SER CB C 55 64.049 64.049 64.870 -0.820 19605 1368 1 4 . 1 1 55 55 SER H H 55 7.412 7.412 8.141 -0.729 19605 1369 1 4 . 1 1 56 56 ILE N N 56 122.704 122.704 123.182 -0.478 19605 1370 1 4 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.277 -0.148 19605 1371 1 4 . 1 1 56 56 ILE C C 56 176.338 176.338 174.703 1.635 19605 1372 1 4 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.146 0.565 19605 1373 1 4 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.413 0.198 19605 1374 1 4 . 1 1 56 56 ILE H H 56 8.139 8.139 8.269 -0.130 19605 1375 1 4 . 1 1 57 57 VAL N N 57 131.677 131.677 129.115 2.562 19605 1376 1 4 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.349 0.047 19605 1377 1 4 . 1 1 57 57 VAL C C 57 174.382 174.382 175.065 -0.683 19605 1378 1 4 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.187 -0.224 19605 1379 1 4 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.854 1.735 19605 1380 1 4 . 1 1 57 57 VAL H H 57 8.851 8.851 8.712 0.139 19605 1381 1 4 . 1 1 58 58 THR N N 58 125.399 125.399 123.753 1.646 19605 1382 1 4 . 1 1 58 58 THR HA H 58 4.551 4.551 4.627 -0.076 19605 1383 1 4 . 1 1 58 58 THR C C 58 174.712 174.712 173.236 1.476 19605 1384 1 4 . 1 1 58 58 THR CA C 58 61.431 61.431 61.775 -0.344 19605 1385 1 4 . 1 1 58 58 THR CB C 58 69.661 69.661 70.338 -0.677 19605 1386 1 4 . 1 1 58 58 THR H H 58 8.745 8.745 8.563 0.182 19605 1387 1 4 . 1 1 59 59 ILE N N 59 132.342 132.342 126.711 5.631 19605 1388 1 4 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.332 -0.754 19605 1389 1 4 . 1 1 59 59 ILE C C 59 173.675 173.675 174.693 -1.018 19605 1390 1 4 . 1 1 59 59 ILE CA C 59 62.927 62.927 59.296 3.631 19605 1391 1 4 . 1 1 59 59 ILE CB C 59 38.394 38.394 36.800 1.595 19605 1392 1 4 . 1 1 59 59 ILE H H 59 9.185 9.185 8.721 0.464 19605 1393 1 4 . 1 1 60 60 GLN N N 60 127.338 127.338 125.128 2.210 19605 1394 1 4 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.321 -0.179 19605 1395 1 4 . 1 1 60 60 GLN C C 60 176.008 176.008 175.540 0.468 19605 1396 1 4 . 1 1 60 60 GLN CA C 60 52.612 52.612 53.972 -1.360 19605 1397 1 4 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.080 -3.193 19605 1398 1 4 . 1 1 60 60 GLN H H 60 8.290 8.290 8.862 -0.572 19605 1399 1 4 . 1 1 61 61 ILE N N 61 120.103 120.103 116.819 3.284 19605 1400 1 4 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.122 -0.077 19605 1401 1 4 . 1 1 61 61 ILE C C 61 173.392 173.392 174.446 -1.054 19605 1402 1 4 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.558 -0.986 19605 1403 1 4 . 1 1 61 61 ILE CB C 61 41.977 41.977 42.222 -0.245 19605 1404 1 4 . 1 1 61 61 ILE H H 61 8.750 8.750 8.705 0.045 19605 1405 1 4 . 1 1 62 62 SER N N 62 116.310 116.310 116.334 -0.024 19605 1406 1 4 . 1 1 62 62 SER HA H 62 4.438 4.438 5.133 -0.695 19605 1407 1 4 . 1 1 62 62 SER C C 62 177.140 177.140 174.714 2.426 19605 1408 1 4 . 1 1 62 62 SER CA C 62 57.035 57.035 56.711 0.324 19605 1409 1 4 . 1 1 62 62 SER CB C 62 62.830 62.830 64.138 -1.308 19605 1410 1 4 . 1 1 62 62 SER H H 62 8.343 8.343 8.287 0.056 19605 1411 1 4 . 1 1 63 63 ASN N N 63 128.919 128.919 122.824 6.095 19605 1412 1 4 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.093 -0.516 19605 1413 1 4 . 1 1 63 63 ASN C C 63 176.645 176.645 174.589 2.056 19605 1414 1 4 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.391 0.351 19605 1415 1 4 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.644 -0.539 19605 1416 1 4 . 1 1 63 63 ASN H H 63 8.805 8.805 9.088 -0.283 19605 1417 1 4 . 1 1 64 64 GLY N N 64 111.519 111.519 110.969 0.550 19605 1418 1 4 . 1 1 64 64 GLY C C 64 173.227 173.227 174.399 -1.172 19605 1419 1 4 . 1 1 64 64 GLY CA C 64 46.052 46.052 43.870 2.182 19605 1420 1 4 . 1 1 64 64 GLY H H 64 8.676 8.676 8.636 0.040 19605 1421 1 5 . 1 1 2 2 SER N N 2 116.880 116.880 115.855 1.025 19605 1422 1 5 . 1 1 2 2 SER HA H 2 4.512 4.512 4.584 -0.072 19605 1423 1 5 . 1 1 2 2 SER C C 2 173.604 173.604 175.257 -1.653 19605 1424 1 5 . 1 1 2 2 SER CA C 2 57.780 57.780 58.401 -0.621 19605 1425 1 5 . 1 1 2 2 SER CB C 2 64.797 64.797 63.950 0.846 19605 1426 1 5 . 1 1 2 2 SER H H 2 8.343 8.343 7.822 0.521 19605 1427 1 5 . 1 1 3 3 ARG N N 3 125.018 125.018 120.020 4.998 19605 1428 1 5 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.067 0.321 19605 1429 1 5 . 1 1 3 3 ARG C C 3 176.056 176.056 175.036 1.020 19605 1430 1 5 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.486 -1.394 19605 1431 1 5 . 1 1 3 3 ARG CB C 3 30.458 30.458 29.238 1.220 19605 1432 1 5 . 1 1 3 3 ARG H H 3 8.135 8.135 8.576 -0.441 19605 1433 1 5 . 1 1 4 4 VAL N N 4 130.625 130.625 123.570 7.055 19605 1434 1 5 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.117 -0.488 19605 1435 1 5 . 1 1 4 4 VAL CA C 4 60.217 60.217 59.787 0.430 19605 1436 1 5 . 1 1 4 4 VAL CB C 4 31.698 31.698 31.419 0.279 19605 1437 1 5 . 1 1 4 4 VAL H H 4 8.329 8.329 8.103 0.226 19605 1438 1 5 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.509 -0.342 19605 1439 1 5 . 1 1 5 5 PRO C C 5 175.420 175.420 176.314 -0.894 19605 1440 1 5 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.437 -0.154 19605 1441 1 5 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.454 -0.756 19605 1442 1 5 . 1 1 6 6 SER N N 6 117.470 117.470 117.499 -0.029 19605 1443 1 5 . 1 1 6 6 SER HA H 6 4.240 4.240 4.389 -0.149 19605 1444 1 5 . 1 1 6 6 SER C C 6 176.008 176.008 174.736 1.272 19605 1445 1 5 . 1 1 6 6 SER CA C 6 58.251 58.251 58.197 0.054 19605 1446 1 5 . 1 1 6 6 SER CB C 6 62.779 62.779 63.641 -0.862 19605 1447 1 5 . 1 1 6 6 SER H H 6 8.303 8.303 8.553 -0.250 19605 1448 1 5 . 1 1 7 7 VAL N N 7 120.063 120.063 127.292 -7.229 19605 1449 1 5 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.215 0.062 19605 1450 1 5 . 1 1 7 7 VAL C C 7 173.746 173.746 174.918 -1.172 19605 1451 1 5 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.153 -2.094 19605 1452 1 5 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.421 -0.392 19605 1453 1 5 . 1 1 7 7 VAL H H 7 8.733 8.733 8.600 0.133 19605 1454 1 5 . 1 1 8 8 ALA N N 8 124.872 124.872 122.655 2.217 19605 1455 1 5 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.328 -0.737 19605 1456 1 5 . 1 1 8 8 ALA C C 8 178.648 178.648 178.335 0.313 19605 1457 1 5 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.292 -0.267 19605 1458 1 5 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.057 -0.743 19605 1459 1 5 . 1 1 8 8 ALA H H 8 6.818 6.818 7.756 -0.938 19605 1460 1 5 . 1 1 9 9 GLY N N 9 112.849 112.849 111.908 0.941 19605 1461 1 5 . 1 1 9 9 GLY C C 9 174.194 174.194 174.139 0.055 19605 1462 1 5 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.048 -0.124 19605 1463 1 5 . 1 1 9 9 GLY H H 9 8.488 8.488 8.853 -0.365 19605 1464 1 5 . 1 1 10 10 LEU N N 10 122.262 122.262 121.822 0.440 19605 1465 1 5 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.752 -0.395 19605 1466 1 5 . 1 1 10 10 LEU C C 10 176.409 176.409 175.999 0.410 19605 1467 1 5 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.680 -0.076 19605 1468 1 5 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.402 -0.627 19605 1469 1 5 . 1 1 10 10 LEU H H 10 7.247 7.247 8.013 -0.766 19605 1470 1 5 . 1 1 11 11 ASP N N 11 118.831 118.831 118.091 0.740 19605 1471 1 5 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.773 -0.030 19605 1472 1 5 . 1 1 11 11 ASP C C 11 176.857 176.857 178.132 -1.275 19605 1473 1 5 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.325 -1.879 19605 1474 1 5 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.691 -1.321 19605 1475 1 5 . 1 1 11 11 ASP H H 11 7.615 7.615 8.374 -0.759 19605 1476 1 5 . 1 1 12 12 VAL N N 12 122.055 122.055 121.565 0.490 19605 1477 1 5 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.559 -0.326 19605 1478 1 5 . 1 1 12 12 VAL C C 12 177.022 177.022 177.553 -0.531 19605 1479 1 5 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.018 0.262 19605 1480 1 5 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.956 -0.837 19605 1481 1 5 . 1 1 12 12 VAL H H 12 8.422 8.422 8.044 0.378 19605 1482 1 5 . 1 1 13 13 ASP N N 13 121.428 121.428 119.590 1.838 19605 1483 1 5 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.316 -0.115 19605 1484 1 5 . 1 1 13 13 ASP C C 13 179.002 179.002 177.892 1.110 19605 1485 1 5 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.903 0.068 19605 1486 1 5 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.300 -0.666 19605 1487 1 5 . 1 1 13 13 ASP H H 13 8.085 8.085 8.545 -0.460 19605 1488 1 5 . 1 1 14 14 ALA N N 14 126.571 126.571 121.300 5.271 19605 1489 1 5 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.246 -0.188 19605 1490 1 5 . 1 1 14 14 ALA C C 14 180.675 180.675 179.285 1.390 19605 1491 1 5 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.594 -0.329 19605 1492 1 5 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.289 0.183 19605 1493 1 5 . 1 1 14 14 ALA H H 14 8.043 8.043 7.250 0.793 19605 1494 1 5 . 1 1 15 15 ALA N N 15 124.633 124.633 121.252 3.381 19605 1495 1 5 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.019 -0.272 19605 1496 1 5 . 1 1 15 15 ALA C C 15 178.507 178.507 179.483 -0.976 19605 1497 1 5 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.836 -0.046 19605 1498 1 5 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.135 -0.159 19605 1499 1 5 . 1 1 15 15 ALA H H 15 8.580 8.580 7.839 0.741 19605 1500 1 5 . 1 1 16 16 ARG N N 16 119.849 119.849 118.675 1.174 19605 1501 1 5 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.046 -0.419 19605 1502 1 5 . 1 1 16 16 ARG C C 16 177.918 177.918 178.366 -0.448 19605 1503 1 5 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.467 0.667 19605 1504 1 5 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.236 -0.522 19605 1505 1 5 . 1 1 16 16 ARG H H 16 8.538 8.538 8.320 0.218 19605 1506 1 5 . 1 1 17 17 GLN N N 17 119.457 119.457 118.563 0.894 19605 1507 1 5 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.101 -0.403 19605 1508 1 5 . 1 1 17 17 GLN C C 17 177.352 177.352 178.735 -1.383 19605 1509 1 5 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.975 -0.742 19605 1510 1 5 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.558 -0.745 19605 1511 1 5 . 1 1 17 17 GLN H H 17 7.522 7.522 7.604 -0.082 19605 1512 1 5 . 1 1 18 18 ARG N N 18 120.878 120.878 119.522 1.356 19605 1513 1 5 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.097 -0.156 19605 1514 1 5 . 1 1 18 18 ARG C C 18 179.662 179.662 178.895 0.767 19605 1515 1 5 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.044 -0.700 19605 1516 1 5 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.172 -0.707 19605 1517 1 5 . 1 1 18 18 ARG H H 18 7.977 7.977 7.813 0.164 19605 1518 1 5 . 1 1 19 19 LEU N N 19 120.628 120.628 120.514 0.114 19605 1519 1 5 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.121 -0.335 19605 1520 1 5 . 1 1 19 19 LEU C C 19 178.578 178.578 178.971 -0.393 19605 1521 1 5 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.856 -0.871 19605 1522 1 5 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.800 0.065 19605 1523 1 5 . 1 1 19 19 LEU H H 19 7.829 7.829 7.841 -0.012 19605 1524 1 5 . 1 1 20 20 LYS N N 20 123.180 123.180 119.628 3.552 19605 1525 1 5 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.189 0.168 19605 1526 1 5 . 1 1 20 20 LYS C C 20 181.925 181.925 179.590 2.335 19605 1527 1 5 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.405 0.062 19605 1528 1 5 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.055 -0.109 19605 1529 1 5 . 1 1 20 20 LYS H H 20 8.064 8.064 7.677 0.387 19605 1530 1 5 . 1 1 21 21 ASP N N 21 124.388 124.388 118.915 5.473 19605 1531 1 5 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.521 -0.255 19605 1532 1 5 . 1 1 21 21 ASP C C 21 177.281 177.281 176.771 0.510 19605 1533 1 5 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.186 0.755 19605 1534 1 5 . 1 1 21 21 ASP CB C 21 40.294 40.294 40.786 -0.492 19605 1535 1 5 . 1 1 21 21 ASP H H 21 8.756 8.756 7.868 0.888 19605 1536 1 5 . 1 1 22 22 ALA N N 22 121.900 121.900 119.311 2.589 19605 1537 1 5 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.506 -0.136 19605 1538 1 5 . 1 1 22 22 ALA C C 22 176.480 176.480 176.949 -0.469 19605 1539 1 5 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.684 -0.395 19605 1540 1 5 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.922 -1.120 19605 1541 1 5 . 1 1 22 22 ALA H H 22 7.142 7.142 7.635 -0.493 19605 1542 1 5 . 1 1 23 23 GLY N N 23 108.215 108.215 105.425 2.790 19605 1543 1 5 . 1 1 23 23 GLY C C 23 174.288 174.288 174.369 -0.081 19605 1544 1 5 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.375 -0.699 19605 1545 1 5 . 1 1 23 23 GLY H H 23 7.823 7.823 7.502 0.321 19605 1546 1 5 . 1 1 24 24 PHE N N 24 120.200 120.200 118.831 1.369 19605 1547 1 5 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.736 -0.522 19605 1548 1 5 . 1 1 24 24 PHE C C 24 175.608 175.608 174.965 0.643 19605 1549 1 5 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.671 2.058 19605 1550 1 5 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.700 -1.728 19605 1551 1 5 . 1 1 24 24 PHE H H 24 7.576 7.576 8.114 -0.538 19605 1552 1 5 . 1 1 25 25 GLN N N 25 121.644 121.644 119.071 2.573 19605 1553 1 5 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.644 -0.308 19605 1554 1 5 . 1 1 25 25 GLN C C 25 175.019 175.019 174.741 0.278 19605 1555 1 5 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.251 -0.741 19605 1556 1 5 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.104 -0.882 19605 1557 1 5 . 1 1 25 25 GLN H H 25 7.813 7.813 8.734 -0.921 19605 1558 1 5 . 1 1 26 26 VAL N N 26 124.721 124.721 122.037 2.684 19605 1559 1 5 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.280 0.544 19605 1560 1 5 . 1 1 26 26 VAL C C 26 176.574 176.574 175.747 0.827 19605 1561 1 5 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.642 -0.425 19605 1562 1 5 . 1 1 26 26 VAL CB C 26 33.186 33.186 31.527 1.659 19605 1563 1 5 . 1 1 26 26 VAL H H 26 8.580 8.580 8.499 0.081 19605 1564 1 5 . 1 1 27 27 ALA N N 27 134.373 134.373 131.029 3.344 19605 1565 1 5 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.230 -0.185 19605 1566 1 5 . 1 1 27 27 ALA C C 27 178.342 178.342 177.077 1.265 19605 1567 1 5 . 1 1 27 27 ALA CA C 27 52.116 52.116 52.612 -0.496 19605 1568 1 5 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.730 -1.258 19605 1569 1 5 . 1 1 27 27 ALA H H 27 8.379 8.379 8.155 0.224 19605 1570 1 5 . 1 1 28 28 ASP N N 28 124.562 124.562 118.575 5.987 19605 1571 1 5 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.566 -0.378 19605 1572 1 5 . 1 1 28 28 ASP C C 28 176.668 176.668 176.684 -0.016 19605 1573 1 5 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.273 2.323 19605 1574 1 5 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.296 -0.067 19605 1575 1 5 . 1 1 28 28 ASP H H 28 8.614 8.614 8.634 -0.020 19605 1576 1 5 . 1 1 29 29 GLN N N 29 118.753 118.753 119.796 -1.043 19605 1577 1 5 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.340 0.146 19605 1578 1 5 . 1 1 29 29 GLN C C 29 177.261 177.261 174.944 2.317 19605 1579 1 5 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.473 -2.208 19605 1580 1 5 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.293 0.807 19605 1581 1 5 . 1 1 29 29 GLN H H 29 7.779 7.779 8.025 -0.246 19605 1582 1 5 . 1 1 30 30 THR N N 30 116.584 116.584 116.673 -0.089 19605 1583 1 5 . 1 1 30 30 THR HA H 30 4.422 4.422 4.505 -0.083 19605 1584 1 5 . 1 1 30 30 THR C C 30 173.887 173.887 173.187 0.700 19605 1585 1 5 . 1 1 30 30 THR CA C 30 60.402 60.402 59.907 0.495 19605 1586 1 5 . 1 1 30 30 THR CB C 30 70.054 70.054 70.321 -0.267 19605 1587 1 5 . 1 1 30 30 THR H H 30 8.167 8.167 8.332 -0.165 19605 1588 1 5 . 1 1 31 31 ASN N N 31 120.109 120.109 123.594 -3.485 19605 1589 1 5 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.951 -0.010 19605 1590 1 5 . 1 1 31 31 ASN C C 31 173.981 173.981 173.718 0.263 19605 1591 1 5 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.252 -1.046 19605 1592 1 5 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.280 1.417 19605 1593 1 5 . 1 1 31 31 ASN H H 31 8.284 8.284 8.514 -0.230 19605 1594 1 5 . 1 1 32 32 SER N N 32 123.634 123.634 120.119 3.515 19605 1595 1 5 . 1 1 32 32 SER HA H 32 5.032 5.032 5.145 -0.113 19605 1596 1 5 . 1 1 32 32 SER C C 32 174.099 174.099 173.858 0.241 19605 1597 1 5 . 1 1 32 32 SER CA C 32 57.596 57.596 57.311 0.285 19605 1598 1 5 . 1 1 32 32 SER CB C 32 63.862 63.862 65.203 -1.341 19605 1599 1 5 . 1 1 32 32 SER H H 32 8.479 8.479 8.534 -0.055 19605 1600 1 5 . 1 1 33 33 VAL N N 33 121.104 121.104 119.150 1.954 19605 1601 1 5 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.545 -0.071 19605 1602 1 5 . 1 1 33 33 VAL C C 33 174.406 174.406 174.475 -0.069 19605 1603 1 5 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.617 -1.179 19605 1604 1 5 . 1 1 33 33 VAL CB C 33 35.170 35.170 34.907 0.263 19605 1605 1 5 . 1 1 33 33 VAL H H 33 8.730 8.730 8.745 -0.015 19605 1606 1 5 . 1 1 34 34 ASN N N 34 123.720 123.720 123.005 0.715 19605 1607 1 5 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.628 -0.785 19605 1608 1 5 . 1 1 34 34 ASN C C 34 175.443 175.443 174.998 0.445 19605 1609 1 5 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.396 0.042 19605 1610 1 5 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.073 -1.506 19605 1611 1 5 . 1 1 34 34 ASN H H 34 8.282 8.282 8.695 -0.413 19605 1612 1 5 . 1 1 35 35 SER N N 35 120.866 120.866 116.245 4.621 19605 1613 1 5 . 1 1 35 35 SER HA H 35 4.292 4.292 4.638 -0.346 19605 1614 1 5 . 1 1 35 35 SER C C 35 172.214 172.214 173.562 -1.348 19605 1615 1 5 . 1 1 35 35 SER CA C 35 58.531 58.531 58.190 0.341 19605 1616 1 5 . 1 1 35 35 SER CB C 35 63.114 63.114 64.519 -1.405 19605 1617 1 5 . 1 1 35 35 SER H H 35 7.987 7.987 8.264 -0.277 19605 1618 1 5 . 1 1 36 36 SER N N 36 119.438 119.438 116.850 2.588 19605 1619 1 5 . 1 1 36 36 SER HA H 36 4.266 4.266 4.541 -0.275 19605 1620 1 5 . 1 1 36 36 SER C C 36 175.254 175.254 173.263 1.991 19605 1621 1 5 . 1 1 36 36 SER CA C 36 58.195 58.195 58.438 -0.243 19605 1622 1 5 . 1 1 36 36 SER CB C 36 63.145 63.145 62.909 0.236 19605 1623 1 5 . 1 1 36 36 SER H H 36 7.972 7.972 8.513 -0.541 19605 1624 1 5 . 1 1 37 37 ALA N N 37 128.628 128.628 123.090 5.538 19605 1625 1 5 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.485 -0.427 19605 1626 1 5 . 1 1 37 37 ALA C C 37 177.918 177.918 175.814 2.104 19605 1627 1 5 . 1 1 37 37 ALA CA C 37 51.713 51.713 51.054 0.659 19605 1628 1 5 . 1 1 37 37 ALA CB C 37 18.720 18.720 20.911 -2.191 19605 1629 1 5 . 1 1 37 37 ALA H H 37 8.386 8.386 7.835 0.551 19605 1630 1 5 . 1 1 38 38 LYS N N 38 125.515 125.515 119.929 5.586 19605 1631 1 5 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.439 -0.627 19605 1632 1 5 . 1 1 38 38 LYS C C 38 174.854 174.854 176.150 -1.296 19605 1633 1 5 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.062 1.505 19605 1634 1 5 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.110 -0.833 19605 1635 1 5 . 1 1 38 38 LYS H H 38 8.320 8.320 8.483 -0.163 19605 1636 1 5 . 1 1 39 39 TYR N N 39 124.088 124.088 126.656 -2.568 19605 1637 1 5 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.303 -0.748 19605 1638 1 5 . 1 1 39 39 TYR C C 39 177.328 177.328 176.992 0.336 19605 1639 1 5 . 1 1 39 39 TYR CA C 39 59.934 59.934 59.068 0.866 19605 1640 1 5 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.718 -0.201 19605 1641 1 5 . 1 1 39 39 TYR H H 39 8.248 8.248 8.685 -0.437 19605 1642 1 5 . 1 1 40 40 GLY N N 40 117.795 117.795 114.472 3.323 19605 1643 1 5 . 1 1 40 40 GLY C C 40 173.534 173.534 173.273 0.261 19605 1644 1 5 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.688 0.563 19605 1645 1 5 . 1 1 40 40 GLY H H 40 8.454 8.454 8.366 0.088 19605 1646 1 5 . 1 1 41 41 GLU N N 41 124.175 124.175 122.524 1.651 19605 1647 1 5 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.740 -0.786 19605 1648 1 5 . 1 1 41 41 GLU C C 41 176.103 176.103 176.297 -0.194 19605 1649 1 5 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.560 1.194 19605 1650 1 5 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.036 -0.165 19605 1651 1 5 . 1 1 41 41 GLU H H 41 7.930 7.930 7.617 0.313 19605 1652 1 5 . 1 1 42 42 VAL N N 42 126.109 126.109 126.731 -0.622 19605 1653 1 5 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.084 -0.117 19605 1654 1 5 . 1 1 42 42 VAL C C 42 177.682 177.682 176.041 1.641 19605 1655 1 5 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.968 -0.362 19605 1656 1 5 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.709 0.409 19605 1657 1 5 . 1 1 42 42 VAL H H 42 8.409 8.409 8.482 -0.073 19605 1658 1 5 . 1 1 43 43 VAL N N 43 123.554 123.554 123.621 -0.067 19605 1659 1 5 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.473 -0.168 19605 1660 1 5 . 1 1 43 43 VAL C C 43 175.419 175.419 175.700 -0.281 19605 1661 1 5 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.374 -1.157 19605 1662 1 5 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.692 0.163 19605 1663 1 5 . 1 1 43 43 VAL H H 43 8.738 8.738 7.940 0.798 19605 1664 1 5 . 1 1 44 44 GLY N N 44 110.450 110.450 110.420 0.030 19605 1665 1 5 . 1 1 44 44 GLY C C 44 171.271 171.271 172.340 -1.069 19605 1666 1 5 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.908 -0.232 19605 1667 1 5 . 1 1 44 44 GLY H H 44 7.344 7.344 7.759 -0.415 19605 1668 1 5 . 1 1 45 45 THR N N 45 109.623 109.623 115.221 -5.598 19605 1669 1 5 . 1 1 45 45 THR HA H 45 4.912 4.912 5.112 -0.200 19605 1670 1 5 . 1 1 45 45 THR C C 45 173.039 173.039 174.204 -1.165 19605 1671 1 5 . 1 1 45 45 THR CA C 45 58.852 58.852 59.297 -0.445 19605 1672 1 5 . 1 1 45 45 THR CB C 45 72.373 72.373 72.120 0.253 19605 1673 1 5 . 1 1 45 45 THR H H 45 8.005 8.005 7.845 0.160 19605 1674 1 5 . 1 1 46 46 SER N N 46 115.547 115.547 118.563 -3.016 19605 1675 1 5 . 1 1 46 46 SER HA H 46 4.396 4.396 4.407 -0.011 19605 1676 1 5 . 1 1 46 46 SER CA C 46 54.603 54.603 59.054 -4.451 19605 1677 1 5 . 1 1 46 46 SER CB C 46 64.891 64.891 62.378 2.513 19605 1678 1 5 . 1 1 46 46 SER H H 46 8.467 8.467 8.395 0.072 19605 1679 1 5 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.432 0.292 19605 1680 1 5 . 1 1 47 47 PRO C C 47 174.783 174.783 175.914 -1.131 19605 1681 1 5 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.960 0.060 19605 1682 1 5 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.051 3.036 19605 1683 1 5 . 1 1 48 48 SER N N 48 115.136 115.136 114.632 0.504 19605 1684 1 5 . 1 1 48 48 SER HA H 48 3.864 3.864 4.549 -0.685 19605 1685 1 5 . 1 1 48 48 SER C C 48 173.086 173.086 175.370 -2.284 19605 1686 1 5 . 1 1 48 48 SER CA C 48 56.754 56.754 57.502 -0.748 19605 1687 1 5 . 1 1 48 48 SER CB C 48 64.763 64.763 65.303 -0.540 19605 1688 1 5 . 1 1 48 48 SER H H 48 8.286 8.286 8.046 0.240 19605 1689 1 5 . 1 1 49 49 GLY N N 49 112.028 112.028 113.068 -1.040 19605 1690 1 5 . 1 1 49 49 GLY C C 49 173.604 173.604 173.753 -0.149 19605 1691 1 5 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.321 -1.480 19605 1692 1 5 . 1 1 49 49 GLY H H 49 8.727 8.727 8.568 0.159 19605 1693 1 5 . 1 1 50 50 GLN N N 50 125.944 125.944 126.294 -0.350 19605 1694 1 5 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.500 0.111 19605 1695 1 5 . 1 1 50 50 GLN C C 50 175.513 175.513 174.512 1.001 19605 1696 1 5 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.450 0.276 19605 1697 1 5 . 1 1 50 50 GLN CB C 50 30.287 30.287 29.336 0.951 19605 1698 1 5 . 1 1 50 50 GLN H H 50 8.317 8.317 8.425 -0.108 19605 1699 1 5 . 1 1 51 51 THR N N 51 121.904 121.904 119.466 2.438 19605 1700 1 5 . 1 1 51 51 THR HA H 51 4.512 4.512 4.635 -0.123 19605 1701 1 5 . 1 1 51 51 THR C C 51 172.968 172.968 173.638 -0.670 19605 1702 1 5 . 1 1 51 51 THR CA C 51 59.747 59.747 61.337 -1.590 19605 1703 1 5 . 1 1 51 51 THR CB C 51 69.193 69.193 71.730 -2.537 19605 1704 1 5 . 1 1 51 51 THR H H 51 8.676 8.676 8.255 0.421 19605 1705 1 5 . 1 1 52 52 ILE N N 52 125.386 125.386 124.285 1.101 19605 1706 1 5 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.464 -0.219 19605 1707 1 5 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.486 0.326 19605 1708 1 5 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.382 0.696 19605 1709 1 5 . 1 1 52 52 ILE H H 52 7.932 7.932 8.652 -0.720 19605 1710 1 5 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.743 -0.756 19605 1711 1 5 . 1 1 53 53 PRO C C 53 177.611 177.611 177.219 0.392 19605 1712 1 5 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.451 0.499 19605 1713 1 5 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.957 0.103 19605 1714 1 5 . 1 1 54 54 GLY N N 54 112.497 112.497 112.043 0.454 19605 1715 1 5 . 1 1 54 54 GLY C C 54 174.123 174.123 174.450 -0.327 19605 1716 1 5 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.091 0.275 19605 1717 1 5 . 1 1 54 54 GLY H H 54 7.868 7.868 8.875 -1.007 19605 1718 1 5 . 1 1 55 55 SER N N 55 116.653 116.653 116.486 0.167 19605 1719 1 5 . 1 1 55 55 SER HA H 55 4.253 4.253 4.800 -0.547 19605 1720 1 5 . 1 1 55 55 SER C C 55 172.261 172.261 173.976 -1.715 19605 1721 1 5 . 1 1 55 55 SER CA C 55 59.467 59.467 57.224 2.244 19605 1722 1 5 . 1 1 55 55 SER CB C 55 64.049 64.049 64.949 -0.900 19605 1723 1 5 . 1 1 55 55 SER H H 55 7.412 7.412 8.233 -0.821 19605 1724 1 5 . 1 1 56 56 ILE N N 56 122.704 122.704 122.836 -0.132 19605 1725 1 5 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.273 -0.144 19605 1726 1 5 . 1 1 56 56 ILE C C 56 176.338 176.338 174.874 1.464 19605 1727 1 5 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.127 0.584 19605 1728 1 5 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.145 0.466 19605 1729 1 5 . 1 1 56 56 ILE H H 56 8.139 8.139 8.261 -0.122 19605 1730 1 5 . 1 1 57 57 VAL N N 57 131.677 131.677 129.058 2.619 19605 1731 1 5 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.302 0.094 19605 1732 1 5 . 1 1 57 57 VAL C C 57 174.382 174.382 174.755 -0.373 19605 1733 1 5 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.616 -0.653 19605 1734 1 5 . 1 1 57 57 VAL CB C 57 34.589 34.589 33.415 1.174 19605 1735 1 5 . 1 1 57 57 VAL H H 57 8.851 8.851 8.627 0.224 19605 1736 1 5 . 1 1 58 58 THR N N 58 125.399 125.399 123.518 1.881 19605 1737 1 5 . 1 1 58 58 THR HA H 58 4.551 4.551 4.657 -0.106 19605 1738 1 5 . 1 1 58 58 THR C C 58 174.712 174.712 173.532 1.180 19605 1739 1 5 . 1 1 58 58 THR CA C 58 61.431 61.431 61.235 0.196 19605 1740 1 5 . 1 1 58 58 THR CB C 58 69.661 69.661 70.248 -0.586 19605 1741 1 5 . 1 1 58 58 THR H H 58 8.745 8.745 8.536 0.209 19605 1742 1 5 . 1 1 59 59 ILE N N 59 132.342 132.342 127.128 5.214 19605 1743 1 5 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.188 -0.610 19605 1744 1 5 . 1 1 59 59 ILE C C 59 173.675 173.675 174.386 -0.711 19605 1745 1 5 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.041 1.885 19605 1746 1 5 . 1 1 59 59 ILE CB C 59 38.394 38.394 37.992 0.402 19605 1747 1 5 . 1 1 59 59 ILE H H 59 9.185 9.185 8.815 0.370 19605 1748 1 5 . 1 1 60 60 GLN N N 60 127.338 127.338 125.963 1.375 19605 1749 1 5 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.328 -0.186 19605 1750 1 5 . 1 1 60 60 GLN C C 60 176.008 176.008 175.222 0.786 19605 1751 1 5 . 1 1 60 60 GLN CA C 60 52.612 52.612 53.946 -1.334 19605 1752 1 5 . 1 1 60 60 GLN CB C 60 28.887 28.887 31.728 -2.841 19605 1753 1 5 . 1 1 60 60 GLN H H 60 8.290 8.290 8.848 -0.558 19605 1754 1 5 . 1 1 61 61 ILE N N 61 120.103 120.103 118.006 2.097 19605 1755 1 5 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.209 -0.164 19605 1756 1 5 . 1 1 61 61 ILE C C 61 173.392 173.392 174.385 -0.993 19605 1757 1 5 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.028 -0.456 19605 1758 1 5 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.859 0.118 19605 1759 1 5 . 1 1 61 61 ILE H H 61 8.750 8.750 7.986 0.764 19605 1760 1 5 . 1 1 62 62 SER N N 62 116.310 116.310 115.923 0.387 19605 1761 1 5 . 1 1 62 62 SER HA H 62 4.438 4.438 5.357 -0.919 19605 1762 1 5 . 1 1 62 62 SER C C 62 177.140 177.140 174.650 2.490 19605 1763 1 5 . 1 1 62 62 SER CA C 62 57.035 57.035 55.986 1.049 19605 1764 1 5 . 1 1 62 62 SER CB C 62 62.830 62.830 64.299 -1.469 19605 1765 1 5 . 1 1 62 62 SER H H 62 8.343 8.343 8.177 0.166 19605 1766 1 5 . 1 1 63 63 ASN N N 63 128.919 128.919 121.791 7.128 19605 1767 1 5 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.166 -0.589 19605 1768 1 5 . 1 1 63 63 ASN C C 63 176.645 176.645 175.270 1.375 19605 1769 1 5 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.200 0.542 19605 1770 1 5 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.112 -0.007 19605 1771 1 5 . 1 1 63 63 ASN H H 63 8.805 8.805 9.112 -0.307 19605 1772 1 5 . 1 1 64 64 GLY N N 64 111.519 111.519 110.574 0.945 19605 1773 1 5 . 1 1 64 64 GLY C C 64 173.227 173.227 174.124 -0.897 19605 1774 1 5 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.154 1.898 19605 1775 1 5 . 1 1 64 64 GLY H H 64 8.676 8.676 8.719 -0.043 19605 1776 1 6 . 1 1 2 2 SER N N 2 116.880 116.880 114.734 2.146 19605 1777 1 6 . 1 1 2 2 SER HA H 2 4.512 4.512 4.953 -0.441 19605 1778 1 6 . 1 1 2 2 SER C C 2 173.604 173.604 173.607 -0.003 19605 1779 1 6 . 1 1 2 2 SER CA C 2 57.780 57.780 58.466 -0.686 19605 1780 1 6 . 1 1 2 2 SER CB C 2 64.797 64.797 64.073 0.724 19605 1781 1 6 . 1 1 2 2 SER H H 2 8.343 8.343 8.096 0.247 19605 1782 1 6 . 1 1 3 3 ARG N N 3 125.018 125.018 123.274 1.744 19605 1783 1 6 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.547 -0.159 19605 1784 1 6 . 1 1 3 3 ARG C C 3 176.056 176.056 174.517 1.539 19605 1785 1 6 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.002 -0.910 19605 1786 1 6 . 1 1 3 3 ARG CB C 3 30.458 30.458 32.147 -1.689 19605 1787 1 6 . 1 1 3 3 ARG H H 3 8.135 8.135 8.623 -0.488 19605 1788 1 6 . 1 1 4 4 VAL N N 4 130.625 130.625 123.545 7.080 19605 1789 1 6 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.211 -0.582 19605 1790 1 6 . 1 1 4 4 VAL CA C 4 60.217 60.217 59.309 0.909 19605 1791 1 6 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.017 -0.320 19605 1792 1 6 . 1 1 4 4 VAL H H 4 8.329 8.329 7.977 0.352 19605 1793 1 6 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.571 -0.404 19605 1794 1 6 . 1 1 5 5 PRO C C 5 175.420 175.420 176.117 -0.697 19605 1795 1 6 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.488 -0.205 19605 1796 1 6 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.199 -0.501 19605 1797 1 6 . 1 1 6 6 SER N N 6 117.470 117.470 118.651 -1.181 19605 1798 1 6 . 1 1 6 6 SER HA H 6 4.240 4.240 4.479 -0.239 19605 1799 1 6 . 1 1 6 6 SER C C 6 176.008 176.008 174.734 1.274 19605 1800 1 6 . 1 1 6 6 SER CA C 6 58.251 58.251 57.632 0.619 19605 1801 1 6 . 1 1 6 6 SER CB C 6 62.779 62.779 63.319 -0.540 19605 1802 1 6 . 1 1 6 6 SER H H 6 8.303 8.303 8.416 -0.113 19605 1803 1 6 . 1 1 7 7 VAL N N 7 120.063 120.063 119.019 1.044 19605 1804 1 6 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.308 -0.031 19605 1805 1 6 . 1 1 7 7 VAL C C 7 173.746 173.746 175.662 -1.916 19605 1806 1 6 . 1 1 7 7 VAL CA C 7 59.059 59.059 60.945 -1.886 19605 1807 1 6 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.056 -0.027 19605 1808 1 6 . 1 1 7 7 VAL H H 7 8.733 8.733 8.703 0.030 19605 1809 1 6 . 1 1 8 8 ALA N N 8 124.872 124.872 123.368 1.504 19605 1810 1 6 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.428 -0.837 19605 1811 1 6 . 1 1 8 8 ALA C C 8 178.648 178.648 178.615 0.033 19605 1812 1 6 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.187 -0.162 19605 1813 1 6 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.113 -0.799 19605 1814 1 6 . 1 1 8 8 ALA H H 8 6.818 6.818 7.755 -0.937 19605 1815 1 6 . 1 1 9 9 GLY N N 9 112.849 112.849 112.153 0.696 19605 1816 1 6 . 1 1 9 9 GLY C C 9 174.194 174.194 174.275 -0.081 19605 1817 1 6 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.120 -0.196 19605 1818 1 6 . 1 1 9 9 GLY H H 9 8.488 8.488 8.909 -0.421 19605 1819 1 6 . 1 1 10 10 LEU N N 10 122.262 122.262 121.623 0.639 19605 1820 1 6 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.600 -0.243 19605 1821 1 6 . 1 1 10 10 LEU C C 10 176.409 176.409 175.804 0.605 19605 1822 1 6 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.806 -0.202 19605 1823 1 6 . 1 1 10 10 LEU CB C 10 42.775 42.775 42.838 -0.063 19605 1824 1 6 . 1 1 10 10 LEU H H 10 7.247 7.247 7.826 -0.579 19605 1825 1 6 . 1 1 11 11 ASP N N 11 118.831 118.831 119.033 -0.202 19605 1826 1 6 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.743 0.000 19605 1827 1 6 . 1 1 11 11 ASP C C 11 176.857 176.857 178.150 -1.293 19605 1828 1 6 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.071 -1.625 19605 1829 1 6 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.827 -1.458 19605 1830 1 6 . 1 1 11 11 ASP H H 11 7.615 7.615 8.259 -0.644 19605 1831 1 6 . 1 1 12 12 VAL N N 12 122.055 122.055 123.127 -1.072 19605 1832 1 6 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.580 -0.347 19605 1833 1 6 . 1 1 12 12 VAL C C 12 177.022 177.022 177.712 -0.690 19605 1834 1 6 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.304 -0.024 19605 1835 1 6 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.748 -0.629 19605 1836 1 6 . 1 1 12 12 VAL H H 12 8.422 8.422 8.033 0.389 19605 1837 1 6 . 1 1 13 13 ASP N N 13 121.428 121.428 119.622 1.806 19605 1838 1 6 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.322 -0.121 19605 1839 1 6 . 1 1 13 13 ASP C C 13 179.002 179.002 178.045 0.957 19605 1840 1 6 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.819 0.152 19605 1841 1 6 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.551 -0.917 19605 1842 1 6 . 1 1 13 13 ASP H H 13 8.085 8.085 8.169 -0.084 19605 1843 1 6 . 1 1 14 14 ALA N N 14 126.571 126.571 121.226 5.345 19605 1844 1 6 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.250 -0.192 19605 1845 1 6 . 1 1 14 14 ALA C C 14 180.675 180.675 179.298 1.377 19605 1846 1 6 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.601 -0.336 19605 1847 1 6 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.303 0.169 19605 1848 1 6 . 1 1 14 14 ALA H H 14 8.043 8.043 7.219 0.824 19605 1849 1 6 . 1 1 15 15 ALA N N 15 124.633 124.633 121.273 3.360 19605 1850 1 6 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.026 -0.279 19605 1851 1 6 . 1 1 15 15 ALA C C 15 178.507 178.507 179.471 -0.964 19605 1852 1 6 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.809 -0.018 19605 1853 1 6 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.149 -0.173 19605 1854 1 6 . 1 1 15 15 ALA H H 15 8.580 8.580 7.986 0.594 19605 1855 1 6 . 1 1 16 16 ARG N N 16 119.849 119.849 118.580 1.269 19605 1856 1 6 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.047 -0.420 19605 1857 1 6 . 1 1 16 16 ARG C C 16 177.918 177.918 178.398 -0.480 19605 1858 1 6 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.446 0.688 19605 1859 1 6 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.277 -0.563 19605 1860 1 6 . 1 1 16 16 ARG H H 16 8.538 8.538 8.372 0.166 19605 1861 1 6 . 1 1 17 17 GLN N N 17 119.457 119.457 118.307 1.150 19605 1862 1 6 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.093 -0.395 19605 1863 1 6 . 1 1 17 17 GLN C C 17 177.352 177.352 178.440 -1.088 19605 1864 1 6 . 1 1 17 17 GLN CA C 17 58.233 58.233 59.194 -0.961 19605 1865 1 6 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.552 -0.739 19605 1866 1 6 . 1 1 17 17 GLN H H 17 7.522 7.522 7.618 -0.096 19605 1867 1 6 . 1 1 18 18 ARG N N 18 120.878 120.878 120.844 0.034 19605 1868 1 6 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.090 -0.149 19605 1869 1 6 . 1 1 18 18 ARG C C 18 179.662 179.662 178.942 0.720 19605 1870 1 6 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.190 -0.845 19605 1871 1 6 . 1 1 18 18 ARG CB C 18 29.466 29.466 29.954 -0.488 19605 1872 1 6 . 1 1 18 18 ARG H H 18 7.977 7.977 7.734 0.243 19605 1873 1 6 . 1 1 19 19 LEU N N 19 120.628 120.628 120.241 0.387 19605 1874 1 6 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.066 -0.280 19605 1875 1 6 . 1 1 19 19 LEU C C 19 178.578 178.578 179.026 -0.448 19605 1876 1 6 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.700 -0.715 19605 1877 1 6 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.809 0.056 19605 1878 1 6 . 1 1 19 19 LEU H H 19 7.829 7.829 7.748 0.081 19605 1879 1 6 . 1 1 20 20 LYS N N 20 123.180 123.180 119.543 3.637 19605 1880 1 6 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.209 0.148 19605 1881 1 6 . 1 1 20 20 LYS C C 20 181.925 181.925 179.718 2.207 19605 1882 1 6 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.472 -0.005 19605 1883 1 6 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.135 -0.189 19605 1884 1 6 . 1 1 20 20 LYS H H 20 8.064 8.064 7.715 0.349 19605 1885 1 6 . 1 1 21 21 ASP N N 21 124.388 124.388 119.889 4.499 19605 1886 1 6 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.519 -0.253 19605 1887 1 6 . 1 1 21 21 ASP C C 21 177.281 177.281 176.857 0.424 19605 1888 1 6 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.590 0.351 19605 1889 1 6 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.051 -0.757 19605 1890 1 6 . 1 1 21 21 ASP H H 21 8.756 8.756 7.900 0.856 19605 1891 1 6 . 1 1 22 22 ALA N N 22 121.900 121.900 119.643 2.257 19605 1892 1 6 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.539 -0.169 19605 1893 1 6 . 1 1 22 22 ALA C C 22 176.480 176.480 177.335 -0.855 19605 1894 1 6 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.936 -0.647 19605 1895 1 6 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.163 -0.361 19605 1896 1 6 . 1 1 22 22 ALA H H 22 7.142 7.142 7.581 -0.439 19605 1897 1 6 . 1 1 23 23 GLY N N 23 108.215 108.215 106.317 1.898 19605 1898 1 6 . 1 1 23 23 GLY C C 23 174.288 174.288 174.188 0.100 19605 1899 1 6 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.161 -0.485 19605 1900 1 6 . 1 1 23 23 GLY H H 23 7.823 7.823 7.551 0.272 19605 1901 1 6 . 1 1 24 24 PHE N N 24 120.200 120.200 118.764 1.436 19605 1902 1 6 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.709 -0.495 19605 1903 1 6 . 1 1 24 24 PHE C C 24 175.608 175.608 174.988 0.620 19605 1904 1 6 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.744 1.985 19605 1905 1 6 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.747 -1.775 19605 1906 1 6 . 1 1 24 24 PHE H H 24 7.576 7.576 8.107 -0.531 19605 1907 1 6 . 1 1 25 25 GLN N N 25 121.644 121.644 118.712 2.932 19605 1908 1 6 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.654 -0.318 19605 1909 1 6 . 1 1 25 25 GLN C C 25 175.019 175.019 174.737 0.282 19605 1910 1 6 . 1 1 25 25 GLN CA C 25 54.510 54.510 54.984 -0.474 19605 1911 1 6 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.031 -0.809 19605 1912 1 6 . 1 1 25 25 GLN H H 25 7.813 7.813 8.700 -0.887 19605 1913 1 6 . 1 1 26 26 VAL N N 26 124.721 124.721 122.742 1.979 19605 1914 1 6 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.241 0.583 19605 1915 1 6 . 1 1 26 26 VAL C C 26 176.574 176.574 175.402 1.172 19605 1916 1 6 . 1 1 26 26 VAL CA C 26 60.217 60.217 61.540 -1.323 19605 1917 1 6 . 1 1 26 26 VAL CB C 26 33.186 33.186 31.961 1.225 19605 1918 1 6 . 1 1 26 26 VAL H H 26 8.580 8.580 8.519 0.061 19605 1919 1 6 . 1 1 27 27 ALA N N 27 134.373 134.373 130.933 3.440 19605 1920 1 6 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.235 -0.190 19605 1921 1 6 . 1 1 27 27 ALA C C 27 178.342 178.342 177.001 1.341 19605 1922 1 6 . 1 1 27 27 ALA CA C 27 52.116 52.116 53.022 -0.905 19605 1923 1 6 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.807 -1.335 19605 1924 1 6 . 1 1 27 27 ALA H H 27 8.379 8.379 7.819 0.560 19605 1925 1 6 . 1 1 28 28 ASP N N 28 124.562 124.562 119.908 4.654 19605 1926 1 6 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.599 -0.411 19605 1927 1 6 . 1 1 28 28 ASP C C 28 176.668 176.668 176.330 0.338 19605 1928 1 6 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.324 2.272 19605 1929 1 6 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.257 -0.028 19605 1930 1 6 . 1 1 28 28 ASP H H 28 8.614 8.614 8.594 0.020 19605 1931 1 6 . 1 1 29 29 GLN N N 29 118.753 118.753 119.732 -0.979 19605 1932 1 6 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.400 0.086 19605 1933 1 6 . 1 1 29 29 GLN C C 29 177.261 177.261 174.816 2.445 19605 1934 1 6 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.139 -1.874 19605 1935 1 6 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.304 0.796 19605 1936 1 6 . 1 1 29 29 GLN H H 29 7.779 7.779 8.045 -0.266 19605 1937 1 6 . 1 1 30 30 THR N N 30 116.584 116.584 116.882 -0.298 19605 1938 1 6 . 1 1 30 30 THR HA H 30 4.422 4.422 4.487 -0.065 19605 1939 1 6 . 1 1 30 30 THR C C 30 173.887 173.887 173.309 0.578 19605 1940 1 6 . 1 1 30 30 THR CA C 30 60.402 60.402 60.368 0.034 19605 1941 1 6 . 1 1 30 30 THR CB C 30 70.054 70.054 70.415 -0.361 19605 1942 1 6 . 1 1 30 30 THR H H 30 8.167 8.167 8.367 -0.200 19605 1943 1 6 . 1 1 31 31 ASN N N 31 120.109 120.109 124.007 -3.898 19605 1944 1 6 . 1 1 31 31 ASN HA H 31 4.941 4.941 5.005 -0.064 19605 1945 1 6 . 1 1 31 31 ASN C C 31 173.981 173.981 173.791 0.190 19605 1946 1 6 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.377 -1.171 19605 1947 1 6 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.887 0.810 19605 1948 1 6 . 1 1 31 31 ASN H H 31 8.284 8.284 8.473 -0.189 19605 1949 1 6 . 1 1 32 32 SER N N 32 123.634 123.634 120.000 3.634 19605 1950 1 6 . 1 1 32 32 SER HA H 32 5.032 5.032 5.298 -0.266 19605 1951 1 6 . 1 1 32 32 SER C C 32 174.099 174.099 173.960 0.139 19605 1952 1 6 . 1 1 32 32 SER CA C 32 57.596 57.596 57.174 0.422 19605 1953 1 6 . 1 1 32 32 SER CB C 32 63.862 63.862 65.049 -1.187 19605 1954 1 6 . 1 1 32 32 SER H H 32 8.479 8.479 8.517 -0.038 19605 1955 1 6 . 1 1 33 33 VAL N N 33 121.104 121.104 119.444 1.660 19605 1956 1 6 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.552 -0.078 19605 1957 1 6 . 1 1 33 33 VAL C C 33 174.406 174.406 174.897 -0.491 19605 1958 1 6 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.840 -1.401 19605 1959 1 6 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.115 0.055 19605 1960 1 6 . 1 1 33 33 VAL H H 33 8.730 8.730 8.551 0.179 19605 1961 1 6 . 1 1 34 34 ASN N N 34 123.720 123.720 123.155 0.565 19605 1962 1 6 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.529 -0.686 19605 1963 1 6 . 1 1 34 34 ASN C C 34 175.443 175.443 175.003 0.440 19605 1964 1 6 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.648 -0.210 19605 1965 1 6 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.283 -1.716 19605 1966 1 6 . 1 1 34 34 ASN H H 34 8.282 8.282 8.715 -0.433 19605 1967 1 6 . 1 1 35 35 SER N N 35 120.866 120.866 116.058 4.808 19605 1968 1 6 . 1 1 35 35 SER HA H 35 4.292 4.292 4.709 -0.417 19605 1969 1 6 . 1 1 35 35 SER C C 35 172.214 172.214 173.271 -1.057 19605 1970 1 6 . 1 1 35 35 SER CA C 35 58.531 58.531 57.683 0.848 19605 1971 1 6 . 1 1 35 35 SER CB C 35 63.114 63.114 64.976 -1.862 19605 1972 1 6 . 1 1 35 35 SER H H 35 7.987 7.987 8.704 -0.717 19605 1973 1 6 . 1 1 36 36 SER N N 36 119.438 119.438 115.695 3.743 19605 1974 1 6 . 1 1 36 36 SER HA H 36 4.266 4.266 4.580 -0.314 19605 1975 1 6 . 1 1 36 36 SER C C 36 175.254 175.254 173.796 1.458 19605 1976 1 6 . 1 1 36 36 SER CA C 36 58.195 58.195 58.168 0.027 19605 1977 1 6 . 1 1 36 36 SER CB C 36 63.145 63.145 63.353 -0.208 19605 1978 1 6 . 1 1 36 36 SER H H 36 7.972 7.972 8.464 -0.492 19605 1979 1 6 . 1 1 37 37 ALA N N 37 128.628 128.628 124.159 4.469 19605 1980 1 6 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.401 -0.343 19605 1981 1 6 . 1 1 37 37 ALA C C 37 177.918 177.918 176.352 1.566 19605 1982 1 6 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.977 0.736 19605 1983 1 6 . 1 1 37 37 ALA CB C 37 18.720 18.720 20.905 -2.185 19605 1984 1 6 . 1 1 37 37 ALA H H 37 8.386 8.386 7.430 0.956 19605 1985 1 6 . 1 1 38 38 LYS N N 38 125.515 125.515 120.029 5.486 19605 1986 1 6 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.422 -0.610 19605 1987 1 6 . 1 1 38 38 LYS C C 38 174.854 174.854 176.216 -1.362 19605 1988 1 6 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.306 1.262 19605 1989 1 6 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.284 -1.007 19605 1990 1 6 . 1 1 38 38 LYS H H 38 8.320 8.320 8.516 -0.196 19605 1991 1 6 . 1 1 39 39 TYR N N 39 124.088 124.088 127.029 -2.941 19605 1992 1 6 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.448 -0.893 19605 1993 1 6 . 1 1 39 39 TYR C C 39 177.328 177.328 176.889 0.439 19605 1994 1 6 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.959 0.975 19605 1995 1 6 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.628 -0.111 19605 1996 1 6 . 1 1 39 39 TYR H H 39 8.248 8.248 8.639 -0.391 19605 1997 1 6 . 1 1 40 40 GLY N N 40 117.795 117.795 114.599 3.196 19605 1998 1 6 . 1 1 40 40 GLY C C 40 173.534 173.534 173.126 0.408 19605 1999 1 6 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.727 0.524 19605 2000 1 6 . 1 1 40 40 GLY H H 40 8.454 8.454 8.465 -0.011 19605 2001 1 6 . 1 1 41 41 GLU N N 41 124.175 124.175 122.324 1.851 19605 2002 1 6 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.831 -0.877 19605 2003 1 6 . 1 1 41 41 GLU C C 41 176.103 176.103 175.679 0.424 19605 2004 1 6 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.223 1.531 19605 2005 1 6 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.218 -0.346 19605 2006 1 6 . 1 1 41 41 GLU H H 41 7.930 7.930 7.731 0.199 19605 2007 1 6 . 1 1 42 42 VAL N N 42 126.109 126.109 127.192 -1.083 19605 2008 1 6 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.120 -0.153 19605 2009 1 6 . 1 1 42 42 VAL C C 42 177.682 177.682 176.267 1.415 19605 2010 1 6 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.111 0.495 19605 2011 1 6 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.445 0.674 19605 2012 1 6 . 1 1 42 42 VAL H H 42 8.409 8.409 8.322 0.087 19605 2013 1 6 . 1 1 43 43 VAL N N 43 123.554 123.554 122.689 0.865 19605 2014 1 6 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.619 -0.314 19605 2015 1 6 . 1 1 43 43 VAL C C 43 175.419 175.419 176.029 -0.610 19605 2016 1 6 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.608 -1.391 19605 2017 1 6 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.956 -0.101 19605 2018 1 6 . 1 1 43 43 VAL H H 43 8.738 8.738 7.802 0.936 19605 2019 1 6 . 1 1 44 44 GLY N N 44 110.450 110.450 110.494 -0.044 19605 2020 1 6 . 1 1 44 44 GLY C C 44 171.271 171.271 172.516 -1.245 19605 2021 1 6 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.779 -0.103 19605 2022 1 6 . 1 1 44 44 GLY H H 44 7.344 7.344 7.680 -0.336 19605 2023 1 6 . 1 1 45 45 THR N N 45 109.623 109.623 115.946 -6.323 19605 2024 1 6 . 1 1 45 45 THR HA H 45 4.912 4.912 5.182 -0.270 19605 2025 1 6 . 1 1 45 45 THR C C 45 173.039 173.039 174.183 -1.144 19605 2026 1 6 . 1 1 45 45 THR CA C 45 58.852 58.852 59.232 -0.380 19605 2027 1 6 . 1 1 45 45 THR CB C 45 72.373 72.373 71.555 0.819 19605 2028 1 6 . 1 1 45 45 THR H H 45 8.005 8.005 7.982 0.023 19605 2029 1 6 . 1 1 46 46 SER N N 46 115.547 115.547 117.359 -1.812 19605 2030 1 6 . 1 1 46 46 SER HA H 46 4.396 4.396 4.502 -0.106 19605 2031 1 6 . 1 1 46 46 SER CA C 46 54.603 54.603 61.080 -6.477 19605 2032 1 6 . 1 1 46 46 SER CB C 46 64.891 64.891 62.012 2.879 19605 2033 1 6 . 1 1 46 46 SER H H 46 8.467 8.467 8.400 0.067 19605 2034 1 6 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.403 0.321 19605 2035 1 6 . 1 1 47 47 PRO C C 47 174.783 174.783 175.691 -0.908 19605 2036 1 6 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.933 0.087 19605 2037 1 6 . 1 1 47 47 PRO CB C 47 35.087 35.087 31.959 3.128 19605 2038 1 6 . 1 1 48 48 SER N N 48 115.136 115.136 116.133 -0.997 19605 2039 1 6 . 1 1 48 48 SER HA H 48 3.864 3.864 4.566 -0.702 19605 2040 1 6 . 1 1 48 48 SER C C 48 173.086 173.086 174.993 -1.907 19605 2041 1 6 . 1 1 48 48 SER CA C 48 56.754 56.754 57.170 -0.416 19605 2042 1 6 . 1 1 48 48 SER CB C 48 64.763 64.763 65.175 -0.412 19605 2043 1 6 . 1 1 48 48 SER H H 48 8.286 8.286 8.127 0.159 19605 2044 1 6 . 1 1 49 49 GLY N N 49 112.028 112.028 113.146 -1.118 19605 2045 1 6 . 1 1 49 49 GLY C C 49 173.604 173.604 173.688 -0.084 19605 2046 1 6 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.513 -1.672 19605 2047 1 6 . 1 1 49 49 GLY H H 49 8.727 8.727 8.666 0.061 19605 2048 1 6 . 1 1 50 50 GLN N N 50 125.944 125.944 125.693 0.251 19605 2049 1 6 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.515 0.096 19605 2050 1 6 . 1 1 50 50 GLN C C 50 175.513 175.513 174.940 0.573 19605 2051 1 6 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.102 0.624 19605 2052 1 6 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.821 1.466 19605 2053 1 6 . 1 1 50 50 GLN H H 50 8.317 8.317 8.226 0.091 19605 2054 1 6 . 1 1 51 51 THR N N 51 121.904 121.904 117.494 4.410 19605 2055 1 6 . 1 1 51 51 THR HA H 51 4.512 4.512 4.604 -0.092 19605 2056 1 6 . 1 1 51 51 THR C C 51 172.968 172.968 173.792 -0.824 19605 2057 1 6 . 1 1 51 51 THR CA C 51 59.747 59.747 60.833 -1.086 19605 2058 1 6 . 1 1 51 51 THR CB C 51 69.193 69.193 71.323 -2.130 19605 2059 1 6 . 1 1 51 51 THR H H 51 8.676 8.676 8.244 0.432 19605 2060 1 6 . 1 1 52 52 ILE N N 52 125.386 125.386 126.109 -0.723 19605 2061 1 6 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.480 -0.235 19605 2062 1 6 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.748 0.064 19605 2063 1 6 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.442 0.636 19605 2064 1 6 . 1 1 52 52 ILE H H 52 7.932 7.932 8.628 -0.696 19605 2065 1 6 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.735 -0.748 19605 2066 1 6 . 1 1 53 53 PRO C C 53 177.611 177.611 177.213 0.398 19605 2067 1 6 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.339 0.611 19605 2068 1 6 . 1 1 53 53 PRO CB C 53 32.060 32.060 32.085 -0.025 19605 2069 1 6 . 1 1 54 54 GLY N N 54 112.497 112.497 112.239 0.258 19605 2070 1 6 . 1 1 54 54 GLY C C 54 174.123 174.123 174.432 -0.309 19605 2071 1 6 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.088 0.278 19605 2072 1 6 . 1 1 54 54 GLY H H 54 7.868 7.868 8.903 -1.035 19605 2073 1 6 . 1 1 55 55 SER N N 55 116.653 116.653 116.681 -0.028 19605 2074 1 6 . 1 1 55 55 SER HA H 55 4.253 4.253 4.779 -0.526 19605 2075 1 6 . 1 1 55 55 SER C C 55 172.261 172.261 173.772 -1.511 19605 2076 1 6 . 1 1 55 55 SER CA C 55 59.467 59.467 57.333 2.134 19605 2077 1 6 . 1 1 55 55 SER CB C 55 64.049 64.049 64.864 -0.815 19605 2078 1 6 . 1 1 55 55 SER H H 55 7.412 7.412 8.153 -0.741 19605 2079 1 6 . 1 1 56 56 ILE N N 56 122.704 122.704 123.127 -0.423 19605 2080 1 6 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.262 -0.133 19605 2081 1 6 . 1 1 56 56 ILE C C 56 176.338 176.338 174.614 1.724 19605 2082 1 6 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.175 0.536 19605 2083 1 6 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.365 0.246 19605 2084 1 6 . 1 1 56 56 ILE H H 56 8.139 8.139 8.207 -0.068 19605 2085 1 6 . 1 1 57 57 VAL N N 57 131.677 131.677 129.444 2.233 19605 2086 1 6 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.297 0.099 19605 2087 1 6 . 1 1 57 57 VAL C C 57 174.382 174.382 174.755 -0.373 19605 2088 1 6 . 1 1 57 57 VAL CA C 57 60.963 60.963 60.780 0.183 19605 2089 1 6 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.874 1.715 19605 2090 1 6 . 1 1 57 57 VAL H H 57 8.851 8.851 8.608 0.243 19605 2091 1 6 . 1 1 58 58 THR N N 58 125.399 125.399 123.845 1.554 19605 2092 1 6 . 1 1 58 58 THR HA H 58 4.551 4.551 4.598 -0.047 19605 2093 1 6 . 1 1 58 58 THR C C 58 174.712 174.712 173.564 1.148 19605 2094 1 6 . 1 1 58 58 THR CA C 58 61.431 61.431 61.369 0.062 19605 2095 1 6 . 1 1 58 58 THR CB C 58 69.661 69.661 70.134 -0.473 19605 2096 1 6 . 1 1 58 58 THR H H 58 8.745 8.745 8.518 0.227 19605 2097 1 6 . 1 1 59 59 ILE N N 59 132.342 132.342 127.246 5.096 19605 2098 1 6 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.188 -0.610 19605 2099 1 6 . 1 1 59 59 ILE C C 59 173.675 173.675 174.298 -0.623 19605 2100 1 6 . 1 1 59 59 ILE CA C 59 62.927 62.927 60.983 1.944 19605 2101 1 6 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.136 0.258 19605 2102 1 6 . 1 1 59 59 ILE H H 59 9.185 9.185 8.775 0.410 19605 2103 1 6 . 1 1 60 60 GLN N N 60 127.338 127.338 125.266 2.072 19605 2104 1 6 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.226 -0.084 19605 2105 1 6 . 1 1 60 60 GLN C C 60 176.008 176.008 175.076 0.932 19605 2106 1 6 . 1 1 60 60 GLN CA C 60 52.612 52.612 53.914 -1.302 19605 2107 1 6 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.134 -3.247 19605 2108 1 6 . 1 1 60 60 GLN H H 60 8.290 8.290 8.840 -0.550 19605 2109 1 6 . 1 1 61 61 ILE N N 61 120.103 120.103 118.419 1.684 19605 2110 1 6 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.097 -0.052 19605 2111 1 6 . 1 1 61 61 ILE C C 61 173.392 173.392 174.001 -0.609 19605 2112 1 6 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.100 -0.528 19605 2113 1 6 . 1 1 61 61 ILE CB C 61 41.977 41.977 42.320 -0.343 19605 2114 1 6 . 1 1 61 61 ILE H H 61 8.750 8.750 7.970 0.780 19605 2115 1 6 . 1 1 62 62 SER N N 62 116.310 116.310 116.507 -0.197 19605 2116 1 6 . 1 1 62 62 SER HA H 62 4.438 4.438 5.247 -0.809 19605 2117 1 6 . 1 1 62 62 SER C C 62 177.140 177.140 174.219 2.921 19605 2118 1 6 . 1 1 62 62 SER CA C 62 57.035 57.035 56.737 0.298 19605 2119 1 6 . 1 1 62 62 SER CB C 62 62.830 62.830 64.379 -1.550 19605 2120 1 6 . 1 1 62 62 SER H H 62 8.343 8.343 8.152 0.191 19605 2121 1 6 . 1 1 63 63 ASN N N 63 128.919 128.919 123.123 5.796 19605 2122 1 6 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.006 -0.429 19605 2123 1 6 . 1 1 63 63 ASN C C 63 176.645 176.645 174.112 2.533 19605 2124 1 6 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.447 0.295 19605 2125 1 6 . 1 1 63 63 ASN CB C 63 39.105 39.105 40.880 -1.775 19605 2126 1 6 . 1 1 63 63 ASN H H 63 8.805 8.805 9.074 -0.269 19605 2127 1 6 . 1 1 64 64 GLY N N 64 111.519 111.519 112.687 -1.168 19605 2128 1 6 . 1 1 64 64 GLY C C 64 173.227 173.227 174.137 -0.910 19605 2129 1 6 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.317 1.735 19605 2130 1 6 . 1 1 64 64 GLY H H 64 8.676 8.676 8.533 0.143 19605 2131 1 7 . 1 1 2 2 SER N N 2 116.880 116.880 115.946 0.934 19605 2132 1 7 . 1 1 2 2 SER HA H 2 4.512 4.512 5.013 -0.501 19605 2133 1 7 . 1 1 2 2 SER C C 2 173.604 173.604 173.488 0.116 19605 2134 1 7 . 1 1 2 2 SER CA C 2 57.780 57.780 57.928 -0.148 19605 2135 1 7 . 1 1 2 2 SER CB C 2 64.797 64.797 65.165 -0.368 19605 2136 1 7 . 1 1 2 2 SER H H 2 8.343 8.343 8.093 0.250 19605 2137 1 7 . 1 1 3 3 ARG N N 3 125.018 125.018 120.370 4.648 19605 2138 1 7 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.120 0.268 19605 2139 1 7 . 1 1 3 3 ARG C C 3 176.056 176.056 174.917 1.139 19605 2140 1 7 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.688 -1.596 19605 2141 1 7 . 1 1 3 3 ARG CB C 3 30.458 30.458 29.333 1.125 19605 2142 1 7 . 1 1 3 3 ARG H H 3 8.135 8.135 8.471 -0.336 19605 2143 1 7 . 1 1 4 4 VAL N N 4 130.625 130.625 122.922 7.703 19605 2144 1 7 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.143 -0.514 19605 2145 1 7 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.382 -0.165 19605 2146 1 7 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.239 -0.541 19605 2147 1 7 . 1 1 4 4 VAL H H 4 8.329 8.329 7.958 0.371 19605 2148 1 7 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.528 -0.361 19605 2149 1 7 . 1 1 5 5 PRO C C 5 175.420 175.420 175.968 -0.548 19605 2150 1 7 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.472 -0.189 19605 2151 1 7 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.553 -0.855 19605 2152 1 7 . 1 1 6 6 SER N N 6 117.470 117.470 116.737 0.733 19605 2153 1 7 . 1 1 6 6 SER HA H 6 4.240 4.240 4.463 -0.223 19605 2154 1 7 . 1 1 6 6 SER C C 6 176.008 176.008 175.175 0.833 19605 2155 1 7 . 1 1 6 6 SER CA C 6 58.251 58.251 57.493 0.758 19605 2156 1 7 . 1 1 6 6 SER CB C 6 62.779 62.779 63.143 -0.364 19605 2157 1 7 . 1 1 6 6 SER H H 6 8.303 8.303 8.408 -0.105 19605 2158 1 7 . 1 1 7 7 VAL N N 7 120.063 120.063 122.255 -2.192 19605 2159 1 7 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.486 -0.209 19605 2160 1 7 . 1 1 7 7 VAL C C 7 173.746 173.746 175.231 -1.485 19605 2161 1 7 . 1 1 7 7 VAL CA C 7 59.059 59.059 60.520 -1.461 19605 2162 1 7 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.350 -0.321 19605 2163 1 7 . 1 1 7 7 VAL H H 7 8.733 8.733 8.527 0.206 19605 2164 1 7 . 1 1 8 8 ALA N N 8 124.872 124.872 123.804 1.068 19605 2165 1 7 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.271 -0.680 19605 2166 1 7 . 1 1 8 8 ALA C C 8 178.648 178.648 178.087 0.561 19605 2167 1 7 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.250 -0.225 19605 2168 1 7 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.624 -1.310 19605 2169 1 7 . 1 1 8 8 ALA H H 8 6.818 6.818 7.424 -0.606 19605 2170 1 7 . 1 1 9 9 GLY N N 9 112.849 112.849 112.366 0.483 19605 2171 1 7 . 1 1 9 9 GLY C C 9 174.194 174.194 174.417 -0.223 19605 2172 1 7 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.029 -0.105 19605 2173 1 7 . 1 1 9 9 GLY H H 9 8.488 8.488 8.921 -0.433 19605 2174 1 7 . 1 1 10 10 LEU N N 10 122.262 122.262 121.844 0.418 19605 2175 1 7 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.642 -0.285 19605 2176 1 7 . 1 1 10 10 LEU C C 10 176.409 176.409 175.801 0.608 19605 2177 1 7 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.357 0.247 19605 2178 1 7 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.303 -0.528 19605 2179 1 7 . 1 1 10 10 LEU H H 10 7.247 7.247 7.685 -0.438 19605 2180 1 7 . 1 1 11 11 ASP N N 11 118.831 118.831 118.051 0.780 19605 2181 1 7 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.733 0.010 19605 2182 1 7 . 1 1 11 11 ASP C C 11 176.857 176.857 178.081 -1.224 19605 2183 1 7 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.398 -1.952 19605 2184 1 7 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.955 -1.586 19605 2185 1 7 . 1 1 11 11 ASP H H 11 7.615 7.615 8.371 -0.756 19605 2186 1 7 . 1 1 12 12 VAL N N 12 122.055 122.055 121.317 0.738 19605 2187 1 7 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.677 -0.444 19605 2188 1 7 . 1 1 12 12 VAL C C 12 177.022 177.022 177.600 -0.578 19605 2189 1 7 . 1 1 12 12 VAL CA C 12 67.280 67.280 66.945 0.335 19605 2190 1 7 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.687 -0.568 19605 2191 1 7 . 1 1 12 12 VAL H H 12 8.422 8.422 8.057 0.365 19605 2192 1 7 . 1 1 13 13 ASP N N 13 121.428 121.428 120.383 1.045 19605 2193 1 7 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.260 -0.059 19605 2194 1 7 . 1 1 13 13 ASP C C 13 179.002 179.002 177.897 1.105 19605 2195 1 7 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.688 0.282 19605 2196 1 7 . 1 1 13 13 ASP CB C 13 39.634 39.634 39.991 -0.357 19605 2197 1 7 . 1 1 13 13 ASP H H 13 8.085 8.085 8.016 0.069 19605 2198 1 7 . 1 1 14 14 ALA N N 14 126.571 126.571 120.995 5.576 19605 2199 1 7 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.271 -0.213 19605 2200 1 7 . 1 1 14 14 ALA C C 14 180.675 180.675 179.006 1.669 19605 2201 1 7 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.436 -0.171 19605 2202 1 7 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.442 0.030 19605 2203 1 7 . 1 1 14 14 ALA H H 14 8.043 8.043 7.734 0.309 19605 2204 1 7 . 1 1 15 15 ALA N N 15 124.633 124.633 121.355 3.278 19605 2205 1 7 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.034 -0.287 19605 2206 1 7 . 1 1 15 15 ALA C C 15 178.507 178.507 179.482 -0.975 19605 2207 1 7 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.850 -0.060 19605 2208 1 7 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.105 -0.129 19605 2209 1 7 . 1 1 15 15 ALA H H 15 8.580 8.580 7.867 0.713 19605 2210 1 7 . 1 1 16 16 ARG N N 16 119.849 119.849 118.521 1.328 19605 2211 1 7 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.084 -0.457 19605 2212 1 7 . 1 1 16 16 ARG C C 16 177.918 177.918 178.420 -0.502 19605 2213 1 7 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.332 0.802 19605 2214 1 7 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.188 -0.474 19605 2215 1 7 . 1 1 16 16 ARG H H 16 8.538 8.538 8.313 0.225 19605 2216 1 7 . 1 1 17 17 GLN N N 17 119.457 119.457 118.507 0.950 19605 2217 1 7 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.101 -0.403 19605 2218 1 7 . 1 1 17 17 GLN C C 17 177.352 177.352 178.522 -1.170 19605 2219 1 7 . 1 1 17 17 GLN CA C 17 58.233 58.233 59.090 -0.857 19605 2220 1 7 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.558 -0.745 19605 2221 1 7 . 1 1 17 17 GLN H H 17 7.522 7.522 7.590 -0.068 19605 2222 1 7 . 1 1 18 18 ARG N N 18 120.878 120.878 120.861 0.017 19605 2223 1 7 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.099 -0.158 19605 2224 1 7 . 1 1 18 18 ARG C C 18 179.662 179.662 178.938 0.724 19605 2225 1 7 . 1 1 18 18 ARG CA C 18 58.344 58.344 58.883 -0.539 19605 2226 1 7 . 1 1 18 18 ARG CB C 18 29.466 29.466 29.837 -0.371 19605 2227 1 7 . 1 1 18 18 ARG H H 18 7.977 7.977 7.628 0.349 19605 2228 1 7 . 1 1 19 19 LEU N N 19 120.628 120.628 120.314 0.314 19605 2229 1 7 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.062 -0.276 19605 2230 1 7 . 1 1 19 19 LEU C C 19 178.578 178.578 179.089 -0.511 19605 2231 1 7 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.698 -0.713 19605 2232 1 7 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.781 0.084 19605 2233 1 7 . 1 1 19 19 LEU H H 19 7.829 7.829 7.727 0.102 19605 2234 1 7 . 1 1 20 20 LYS N N 20 123.180 123.180 119.445 3.735 19605 2235 1 7 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.227 0.130 19605 2236 1 7 . 1 1 20 20 LYS C C 20 181.925 181.925 179.742 2.183 19605 2237 1 7 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.425 0.042 19605 2238 1 7 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.124 -0.178 19605 2239 1 7 . 1 1 20 20 LYS H H 20 8.064 8.064 7.692 0.372 19605 2240 1 7 . 1 1 21 21 ASP N N 21 124.388 124.388 119.875 4.513 19605 2241 1 7 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.524 -0.258 19605 2242 1 7 . 1 1 21 21 ASP C C 21 177.281 177.281 176.842 0.439 19605 2243 1 7 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.580 0.361 19605 2244 1 7 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.031 -0.737 19605 2245 1 7 . 1 1 21 21 ASP H H 21 8.756 8.756 7.894 0.862 19605 2246 1 7 . 1 1 22 22 ALA N N 22 121.900 121.900 118.886 3.014 19605 2247 1 7 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.658 -0.288 19605 2248 1 7 . 1 1 22 22 ALA C C 22 176.480 176.480 177.067 -0.587 19605 2249 1 7 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.530 -0.241 19605 2250 1 7 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.359 -0.557 19605 2251 1 7 . 1 1 22 22 ALA H H 22 7.142 7.142 7.574 -0.431 19605 2252 1 7 . 1 1 23 23 GLY N N 23 108.215 108.215 106.115 2.100 19605 2253 1 7 . 1 1 23 23 GLY C C 23 174.288 174.288 174.422 -0.134 19605 2254 1 7 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.216 -0.540 19605 2255 1 7 . 1 1 23 23 GLY H H 23 7.823 7.823 7.531 0.292 19605 2256 1 7 . 1 1 24 24 PHE N N 24 120.200 120.200 118.828 1.372 19605 2257 1 7 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.679 -0.465 19605 2258 1 7 . 1 1 24 24 PHE C C 24 175.608 175.608 174.744 0.864 19605 2259 1 7 . 1 1 24 24 PHE CA C 24 58.729 58.729 57.309 1.420 19605 2260 1 7 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.383 -1.411 19605 2261 1 7 . 1 1 24 24 PHE H H 24 7.576 7.576 8.125 -0.549 19605 2262 1 7 . 1 1 25 25 GLN N N 25 121.644 121.644 119.002 2.642 19605 2263 1 7 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.694 -0.358 19605 2264 1 7 . 1 1 25 25 GLN C C 25 175.019 175.019 174.582 0.437 19605 2265 1 7 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.028 -0.518 19605 2266 1 7 . 1 1 25 25 GLN CB C 25 31.222 31.222 31.797 -0.575 19605 2267 1 7 . 1 1 25 25 GLN H H 25 7.813 7.813 8.700 -0.887 19605 2268 1 7 . 1 1 26 26 VAL N N 26 124.721 124.721 121.386 3.335 19605 2269 1 7 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.190 0.634 19605 2270 1 7 . 1 1 26 26 VAL C C 26 176.574 176.574 174.856 1.718 19605 2271 1 7 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.501 -0.284 19605 2272 1 7 . 1 1 26 26 VAL CB C 26 33.186 33.186 33.131 0.055 19605 2273 1 7 . 1 1 26 26 VAL H H 26 8.580 8.580 8.400 0.180 19605 2274 1 7 . 1 1 27 27 ALA N N 27 134.373 134.373 130.299 4.074 19605 2275 1 7 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.541 -0.496 19605 2276 1 7 . 1 1 27 27 ALA C C 27 178.342 178.342 176.767 1.575 19605 2277 1 7 . 1 1 27 27 ALA CA C 27 52.116 52.116 51.827 0.289 19605 2278 1 7 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.990 -1.518 19605 2279 1 7 . 1 1 27 27 ALA H H 27 8.379 8.379 8.173 0.206 19605 2280 1 7 . 1 1 28 28 ASP N N 28 124.562 124.562 119.464 5.098 19605 2281 1 7 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.610 -0.422 19605 2282 1 7 . 1 1 28 28 ASP C C 28 176.668 176.668 176.158 0.510 19605 2283 1 7 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.632 1.964 19605 2284 1 7 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.315 -0.086 19605 2285 1 7 . 1 1 28 28 ASP H H 28 8.614 8.614 8.607 0.007 19605 2286 1 7 . 1 1 29 29 GLN N N 29 118.753 118.753 119.766 -1.013 19605 2287 1 7 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.380 0.106 19605 2288 1 7 . 1 1 29 29 GLN C C 29 177.261 177.261 174.659 2.602 19605 2289 1 7 . 1 1 29 29 GLN CA C 29 54.265 54.265 55.822 -1.557 19605 2290 1 7 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.123 0.977 19605 2291 1 7 . 1 1 29 29 GLN H H 29 7.779 7.779 8.056 -0.277 19605 2292 1 7 . 1 1 30 30 THR N N 30 116.584 116.584 115.816 0.768 19605 2293 1 7 . 1 1 30 30 THR HA H 30 4.422 4.422 4.591 -0.169 19605 2294 1 7 . 1 1 30 30 THR C C 30 173.887 173.887 173.458 0.429 19605 2295 1 7 . 1 1 30 30 THR CA C 30 60.402 60.402 60.294 0.108 19605 2296 1 7 . 1 1 30 30 THR CB C 30 70.054 70.054 71.020 -0.966 19605 2297 1 7 . 1 1 30 30 THR H H 30 8.167 8.167 8.326 -0.159 19605 2298 1 7 . 1 1 31 31 ASN N N 31 120.109 120.109 121.146 -1.037 19605 2299 1 7 . 1 1 31 31 ASN HA H 31 4.941 4.941 5.008 -0.067 19605 2300 1 7 . 1 1 31 31 ASN C C 31 173.981 173.981 173.697 0.284 19605 2301 1 7 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.379 -1.173 19605 2302 1 7 . 1 1 31 31 ASN CB C 31 41.697 41.697 41.009 0.688 19605 2303 1 7 . 1 1 31 31 ASN H H 31 8.284 8.284 8.434 -0.150 19605 2304 1 7 . 1 1 32 32 SER N N 32 123.634 123.634 119.448 4.186 19605 2305 1 7 . 1 1 32 32 SER HA H 32 5.032 5.032 5.175 -0.143 19605 2306 1 7 . 1 1 32 32 SER C C 32 174.099 174.099 173.690 0.409 19605 2307 1 7 . 1 1 32 32 SER CA C 32 57.596 57.596 57.018 0.578 19605 2308 1 7 . 1 1 32 32 SER CB C 32 63.862 63.862 65.141 -1.279 19605 2309 1 7 . 1 1 32 32 SER H H 32 8.479 8.479 8.524 -0.045 19605 2310 1 7 . 1 1 33 33 VAL N N 33 121.104 121.104 119.554 1.550 19605 2311 1 7 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.489 -0.015 19605 2312 1 7 . 1 1 33 33 VAL C C 33 174.406 174.406 174.611 -0.205 19605 2313 1 7 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.086 -0.648 19605 2314 1 7 . 1 1 33 33 VAL CB C 33 35.170 35.170 34.810 0.360 19605 2315 1 7 . 1 1 33 33 VAL H H 33 8.730 8.730 8.717 0.013 19605 2316 1 7 . 1 1 34 34 ASN N N 34 123.720 123.720 123.478 0.242 19605 2317 1 7 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.486 -0.643 19605 2318 1 7 . 1 1 34 34 ASN C C 34 175.443 175.443 175.073 0.370 19605 2319 1 7 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.190 0.248 19605 2320 1 7 . 1 1 34 34 ASN CB C 34 37.567 37.567 38.924 -1.357 19605 2321 1 7 . 1 1 34 34 ASN H H 34 8.282 8.282 8.681 -0.399 19605 2322 1 7 . 1 1 35 35 SER N N 35 120.866 120.866 116.909 3.957 19605 2323 1 7 . 1 1 35 35 SER HA H 35 4.292 4.292 4.671 -0.379 19605 2324 1 7 . 1 1 35 35 SER C C 35 172.214 172.214 173.514 -1.300 19605 2325 1 7 . 1 1 35 35 SER CA C 35 58.531 58.531 58.125 0.406 19605 2326 1 7 . 1 1 35 35 SER CB C 35 63.114 63.114 64.619 -1.505 19605 2327 1 7 . 1 1 35 35 SER H H 35 7.987 7.987 8.164 -0.177 19605 2328 1 7 . 1 1 36 36 SER N N 36 119.438 119.438 115.600 3.838 19605 2329 1 7 . 1 1 36 36 SER HA H 36 4.266 4.266 4.500 -0.234 19605 2330 1 7 . 1 1 36 36 SER C C 36 175.254 175.254 173.396 1.858 19605 2331 1 7 . 1 1 36 36 SER CA C 36 58.195 58.195 58.282 -0.087 19605 2332 1 7 . 1 1 36 36 SER CB C 36 63.145 63.145 62.800 0.345 19605 2333 1 7 . 1 1 36 36 SER H H 36 7.972 7.972 8.547 -0.575 19605 2334 1 7 . 1 1 37 37 ALA N N 37 128.628 128.628 123.151 5.477 19605 2335 1 7 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.472 -0.414 19605 2336 1 7 . 1 1 37 37 ALA C C 37 177.918 177.918 175.469 2.449 19605 2337 1 7 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.645 1.068 19605 2338 1 7 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.517 -2.797 19605 2339 1 7 . 1 1 37 37 ALA H H 37 8.386 8.386 7.648 0.738 19605 2340 1 7 . 1 1 38 38 LYS N N 38 125.515 125.515 120.427 5.088 19605 2341 1 7 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.461 -0.649 19605 2342 1 7 . 1 1 38 38 LYS C C 38 174.854 174.854 176.197 -1.343 19605 2343 1 7 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.669 0.898 19605 2344 1 7 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.270 -0.993 19605 2345 1 7 . 1 1 38 38 LYS H H 38 8.320 8.320 8.629 -0.309 19605 2346 1 7 . 1 1 39 39 TYR N N 39 124.088 124.088 126.911 -2.823 19605 2347 1 7 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.332 -0.777 19605 2348 1 7 . 1 1 39 39 TYR C C 39 177.328 177.328 176.907 0.421 19605 2349 1 7 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.885 1.050 19605 2350 1 7 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.704 -0.187 19605 2351 1 7 . 1 1 39 39 TYR H H 39 8.248 8.248 8.714 -0.466 19605 2352 1 7 . 1 1 40 40 GLY N N 40 117.795 117.795 114.405 3.390 19605 2353 1 7 . 1 1 40 40 GLY C C 40 173.534 173.534 173.145 0.389 19605 2354 1 7 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.728 0.523 19605 2355 1 7 . 1 1 40 40 GLY H H 40 8.454 8.454 8.381 0.073 19605 2356 1 7 . 1 1 41 41 GLU N N 41 124.175 124.175 121.987 2.188 19605 2357 1 7 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.639 -0.685 19605 2358 1 7 . 1 1 41 41 GLU C C 41 176.103 176.103 175.974 0.129 19605 2359 1 7 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.704 1.050 19605 2360 1 7 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.274 -0.403 19605 2361 1 7 . 1 1 41 41 GLU H H 41 7.930 7.930 7.552 0.378 19605 2362 1 7 . 1 1 42 42 VAL N N 42 126.109 126.109 126.755 -0.646 19605 2363 1 7 . 1 1 42 42 VAL HA H 42 3.967 3.967 3.909 0.058 19605 2364 1 7 . 1 1 42 42 VAL C C 42 177.682 177.682 175.757 1.925 19605 2365 1 7 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.822 -0.215 19605 2366 1 7 . 1 1 42 42 VAL CB C 42 31.119 31.119 31.217 -0.098 19605 2367 1 7 . 1 1 42 42 VAL H H 42 8.409 8.409 8.610 -0.201 19605 2368 1 7 . 1 1 43 43 VAL N N 43 123.554 123.554 123.706 -0.152 19605 2369 1 7 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.580 -0.275 19605 2370 1 7 . 1 1 43 43 VAL C C 43 175.419 175.419 175.979 -0.560 19605 2371 1 7 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.630 -1.413 19605 2372 1 7 . 1 1 43 43 VAL CB C 43 32.855 32.855 33.102 -0.247 19605 2373 1 7 . 1 1 43 43 VAL H H 43 8.738 8.738 7.875 0.863 19605 2374 1 7 . 1 1 44 44 GLY N N 44 110.450 110.450 109.946 0.504 19605 2375 1 7 . 1 1 44 44 GLY C C 44 171.271 171.271 172.269 -0.998 19605 2376 1 7 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.728 -0.052 19605 2377 1 7 . 1 1 44 44 GLY H H 44 7.344 7.344 7.790 -0.446 19605 2378 1 7 . 1 1 45 45 THR N N 45 109.623 109.623 115.338 -5.715 19605 2379 1 7 . 1 1 45 45 THR HA H 45 4.912 4.912 5.084 -0.172 19605 2380 1 7 . 1 1 45 45 THR C C 45 173.039 173.039 174.098 -1.059 19605 2381 1 7 . 1 1 45 45 THR CA C 45 58.852 58.852 59.568 -0.716 19605 2382 1 7 . 1 1 45 45 THR CB C 45 72.373 72.373 72.147 0.226 19605 2383 1 7 . 1 1 45 45 THR H H 45 8.005 8.005 7.870 0.135 19605 2384 1 7 . 1 1 46 46 SER N N 46 115.547 115.547 117.782 -2.235 19605 2385 1 7 . 1 1 46 46 SER HA H 46 4.396 4.396 4.418 -0.022 19605 2386 1 7 . 1 1 46 46 SER CA C 46 54.603 54.603 59.915 -5.312 19605 2387 1 7 . 1 1 46 46 SER CB C 46 64.891 64.891 62.279 2.612 19605 2388 1 7 . 1 1 46 46 SER H H 46 8.467 8.467 8.445 0.022 19605 2389 1 7 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.418 0.306 19605 2390 1 7 . 1 1 47 47 PRO C C 47 174.783 174.783 175.943 -1.160 19605 2391 1 7 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.959 0.061 19605 2392 1 7 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.112 2.974 19605 2393 1 7 . 1 1 48 48 SER N N 48 115.136 115.136 116.340 -1.204 19605 2394 1 7 . 1 1 48 48 SER HA H 48 3.864 3.864 4.582 -0.718 19605 2395 1 7 . 1 1 48 48 SER C C 48 173.086 173.086 174.910 -1.824 19605 2396 1 7 . 1 1 48 48 SER CA C 48 56.754 56.754 57.088 -0.334 19605 2397 1 7 . 1 1 48 48 SER CB C 48 64.763 64.763 65.241 -0.478 19605 2398 1 7 . 1 1 48 48 SER H H 48 8.286 8.286 8.107 0.179 19605 2399 1 7 . 1 1 49 49 GLY N N 49 112.028 112.028 112.921 -0.893 19605 2400 1 7 . 1 1 49 49 GLY C C 49 173.604 173.604 173.829 -0.225 19605 2401 1 7 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.319 -1.478 19605 2402 1 7 . 1 1 49 49 GLY H H 49 8.727 8.727 8.801 -0.074 19605 2403 1 7 . 1 1 50 50 GLN N N 50 125.944 125.944 126.156 -0.212 19605 2404 1 7 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.480 0.131 19605 2405 1 7 . 1 1 50 50 GLN C C 50 175.513 175.513 174.883 0.630 19605 2406 1 7 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.217 0.509 19605 2407 1 7 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.711 1.576 19605 2408 1 7 . 1 1 50 50 GLN H H 50 8.317 8.317 8.255 0.062 19605 2409 1 7 . 1 1 51 51 THR N N 51 121.904 121.904 117.939 3.965 19605 2410 1 7 . 1 1 51 51 THR HA H 51 4.512 4.512 4.624 -0.112 19605 2411 1 7 . 1 1 51 51 THR C C 51 172.968 172.968 173.372 -0.404 19605 2412 1 7 . 1 1 51 51 THR CA C 51 59.747 59.747 61.013 -1.266 19605 2413 1 7 . 1 1 51 51 THR CB C 51 69.193 69.193 71.541 -2.348 19605 2414 1 7 . 1 1 51 51 THR H H 51 8.676 8.676 8.224 0.452 19605 2415 1 7 . 1 1 52 52 ILE N N 52 125.386 125.386 125.303 0.083 19605 2416 1 7 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.517 -0.272 19605 2417 1 7 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.778 0.034 19605 2418 1 7 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.471 0.607 19605 2419 1 7 . 1 1 52 52 ILE H H 52 7.932 7.932 8.630 -0.698 19605 2420 1 7 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.759 -0.772 19605 2421 1 7 . 1 1 53 53 PRO C C 53 177.611 177.611 177.283 0.328 19605 2422 1 7 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.413 0.537 19605 2423 1 7 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.980 0.080 19605 2424 1 7 . 1 1 54 54 GLY N N 54 112.497 112.497 111.808 0.689 19605 2425 1 7 . 1 1 54 54 GLY C C 54 174.123 174.123 174.408 -0.285 19605 2426 1 7 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.127 0.239 19605 2427 1 7 . 1 1 54 54 GLY H H 54 7.868 7.868 8.831 -0.963 19605 2428 1 7 . 1 1 55 55 SER N N 55 116.653 116.653 117.064 -0.411 19605 2429 1 7 . 1 1 55 55 SER HA H 55 4.253 4.253 4.832 -0.579 19605 2430 1 7 . 1 1 55 55 SER C C 55 172.261 172.261 173.796 -1.535 19605 2431 1 7 . 1 1 55 55 SER CA C 55 59.467 59.467 57.692 1.775 19605 2432 1 7 . 1 1 55 55 SER CB C 55 64.049 64.049 65.109 -1.060 19605 2433 1 7 . 1 1 55 55 SER H H 55 7.412 7.412 8.242 -0.830 19605 2434 1 7 . 1 1 56 56 ILE N N 56 122.704 122.704 122.919 -0.215 19605 2435 1 7 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.290 -0.161 19605 2436 1 7 . 1 1 56 56 ILE C C 56 176.338 176.338 174.889 1.449 19605 2437 1 7 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.046 0.665 19605 2438 1 7 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.642 -0.031 19605 2439 1 7 . 1 1 56 56 ILE H H 56 8.139 8.139 8.309 -0.170 19605 2440 1 7 . 1 1 57 57 VAL N N 57 131.677 131.677 128.831 2.846 19605 2441 1 7 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.283 0.113 19605 2442 1 7 . 1 1 57 57 VAL C C 57 174.382 174.382 174.959 -0.577 19605 2443 1 7 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.688 -0.725 19605 2444 1 7 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.468 2.121 19605 2445 1 7 . 1 1 57 57 VAL H H 57 8.851 8.851 8.664 0.187 19605 2446 1 7 . 1 1 58 58 THR N N 58 125.399 125.399 123.647 1.752 19605 2447 1 7 . 1 1 58 58 THR HA H 58 4.551 4.551 4.633 -0.082 19605 2448 1 7 . 1 1 58 58 THR C C 58 174.712 174.712 173.397 1.315 19605 2449 1 7 . 1 1 58 58 THR CA C 58 61.431 61.431 61.977 -0.546 19605 2450 1 7 . 1 1 58 58 THR CB C 58 69.661 69.661 70.322 -0.661 19605 2451 1 7 . 1 1 58 58 THR H H 58 8.745 8.745 8.506 0.239 19605 2452 1 7 . 1 1 59 59 ILE N N 59 132.342 132.342 126.650 5.692 19605 2453 1 7 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.210 -0.632 19605 2454 1 7 . 1 1 59 59 ILE C C 59 173.675 173.675 174.498 -0.823 19605 2455 1 7 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.062 1.865 19605 2456 1 7 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.532 -0.138 19605 2457 1 7 . 1 1 59 59 ILE H H 59 9.185 9.185 8.812 0.373 19605 2458 1 7 . 1 1 60 60 GLN N N 60 127.338 127.338 128.131 -0.793 19605 2459 1 7 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.371 -0.229 19605 2460 1 7 . 1 1 60 60 GLN C C 60 176.008 176.008 174.526 1.482 19605 2461 1 7 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.025 -1.413 19605 2462 1 7 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.727 -3.840 19605 2463 1 7 . 1 1 60 60 GLN H H 60 8.290 8.290 8.929 -0.639 19605 2464 1 7 . 1 1 61 61 ILE N N 61 120.103 120.103 120.207 -0.104 19605 2465 1 7 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.181 -0.136 19605 2466 1 7 . 1 1 61 61 ILE C C 61 173.392 173.392 174.324 -0.932 19605 2467 1 7 . 1 1 61 61 ILE CA C 61 57.572 57.572 57.914 -0.342 19605 2468 1 7 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.979 -0.002 19605 2469 1 7 . 1 1 61 61 ILE H H 61 8.750 8.750 7.971 0.779 19605 2470 1 7 . 1 1 62 62 SER N N 62 116.310 116.310 116.194 0.116 19605 2471 1 7 . 1 1 62 62 SER HA H 62 4.438 4.438 5.282 -0.844 19605 2472 1 7 . 1 1 62 62 SER C C 62 177.140 177.140 174.953 2.187 19605 2473 1 7 . 1 1 62 62 SER CA C 62 57.035 57.035 56.007 1.028 19605 2474 1 7 . 1 1 62 62 SER CB C 62 62.830 62.830 64.343 -1.513 19605 2475 1 7 . 1 1 62 62 SER H H 62 8.343 8.343 8.098 0.245 19605 2476 1 7 . 1 1 63 63 ASN N N 63 128.919 128.919 122.390 6.529 19605 2477 1 7 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.125 -0.548 19605 2478 1 7 . 1 1 63 63 ASN C C 63 176.645 176.645 175.005 1.640 19605 2479 1 7 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.520 0.222 19605 2480 1 7 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.024 0.081 19605 2481 1 7 . 1 1 63 63 ASN H H 63 8.805 8.805 9.136 -0.331 19605 2482 1 7 . 1 1 64 64 GLY N N 64 111.519 111.519 110.550 0.969 19605 2483 1 7 . 1 1 64 64 GLY C C 64 173.227 173.227 174.160 -0.933 19605 2484 1 7 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.297 1.755 19605 2485 1 7 . 1 1 64 64 GLY H H 64 8.676 8.676 8.764 -0.088 19605 2486 1 8 . 1 1 2 2 SER N N 2 116.880 116.880 117.945 -1.065 19605 2487 1 8 . 1 1 2 2 SER HA H 2 4.512 4.512 4.366 0.146 19605 2488 1 8 . 1 1 2 2 SER C C 2 173.604 173.604 174.363 -0.759 19605 2489 1 8 . 1 1 2 2 SER CA C 2 57.780 57.780 58.614 -0.834 19605 2490 1 8 . 1 1 2 2 SER CB C 2 64.797 64.797 63.618 1.179 19605 2491 1 8 . 1 1 2 2 SER H H 2 8.343 8.343 8.433 -0.090 19605 2492 1 8 . 1 1 3 3 ARG N N 3 125.018 125.018 125.604 -0.586 19605 2493 1 8 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.406 -0.018 19605 2494 1 8 . 1 1 3 3 ARG C C 3 176.056 176.056 174.374 1.682 19605 2495 1 8 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.142 -1.050 19605 2496 1 8 . 1 1 3 3 ARG CB C 3 30.458 30.458 30.911 -0.453 19605 2497 1 8 . 1 1 3 3 ARG H H 3 8.135 8.135 8.601 -0.466 19605 2498 1 8 . 1 1 4 4 VAL N N 4 130.625 130.625 124.268 6.357 19605 2499 1 8 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.025 -0.396 19605 2500 1 8 . 1 1 4 4 VAL CA C 4 60.217 60.217 59.456 0.760 19605 2501 1 8 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.324 -0.626 19605 2502 1 8 . 1 1 4 4 VAL H H 4 8.329 8.329 8.006 0.323 19605 2503 1 8 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.485 -0.318 19605 2504 1 8 . 1 1 5 5 PRO C C 5 175.420 175.420 175.899 -0.479 19605 2505 1 8 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.324 -0.041 19605 2506 1 8 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.163 -0.465 19605 2507 1 8 . 1 1 6 6 SER N N 6 117.470 117.470 117.077 0.393 19605 2508 1 8 . 1 1 6 6 SER HA H 6 4.240 4.240 4.449 -0.209 19605 2509 1 8 . 1 1 6 6 SER C C 6 176.008 176.008 174.859 1.149 19605 2510 1 8 . 1 1 6 6 SER CA C 6 58.251 58.251 57.926 0.325 19605 2511 1 8 . 1 1 6 6 SER CB C 6 62.779 62.779 63.428 -0.649 19605 2512 1 8 . 1 1 6 6 SER H H 6 8.303 8.303 8.375 -0.072 19605 2513 1 8 . 1 1 7 7 VAL N N 7 120.063 120.063 124.949 -4.886 19605 2514 1 8 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.182 0.095 19605 2515 1 8 . 1 1 7 7 VAL C C 7 173.746 173.746 175.519 -1.773 19605 2516 1 8 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.352 -2.292 19605 2517 1 8 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.322 -0.293 19605 2518 1 8 . 1 1 7 7 VAL H H 7 8.733 8.733 8.758 -0.025 19605 2519 1 8 . 1 1 8 8 ALA N N 8 124.872 124.872 123.039 1.833 19605 2520 1 8 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.360 -0.769 19605 2521 1 8 . 1 1 8 8 ALA C C 8 178.648 178.648 178.345 0.303 19605 2522 1 8 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.525 -0.500 19605 2523 1 8 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.484 -1.170 19605 2524 1 8 . 1 1 8 8 ALA H H 8 6.818 6.818 7.745 -0.927 19605 2525 1 8 . 1 1 9 9 GLY N N 9 112.849 112.849 111.976 0.873 19605 2526 1 8 . 1 1 9 9 GLY C C 9 174.194 174.194 174.270 -0.076 19605 2527 1 8 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.145 -0.221 19605 2528 1 8 . 1 1 9 9 GLY H H 9 8.488 8.488 8.969 -0.481 19605 2529 1 8 . 1 1 10 10 LEU N N 10 122.262 122.262 121.778 0.484 19605 2530 1 8 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.772 -0.415 19605 2531 1 8 . 1 1 10 10 LEU C C 10 176.409 176.409 175.897 0.512 19605 2532 1 8 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.563 0.041 19605 2533 1 8 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.447 -0.672 19605 2534 1 8 . 1 1 10 10 LEU H H 10 7.247 7.247 8.046 -0.799 19605 2535 1 8 . 1 1 11 11 ASP N N 11 118.831 118.831 118.351 0.480 19605 2536 1 8 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.765 -0.022 19605 2537 1 8 . 1 1 11 11 ASP C C 11 176.857 176.857 177.941 -1.084 19605 2538 1 8 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.400 -1.954 19605 2539 1 8 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.444 -1.075 19605 2540 1 8 . 1 1 11 11 ASP H H 11 7.615 7.615 8.402 -0.787 19605 2541 1 8 . 1 1 12 12 VAL N N 12 122.055 122.055 122.199 -0.144 19605 2542 1 8 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.661 -0.428 19605 2543 1 8 . 1 1 12 12 VAL C C 12 177.022 177.022 177.647 -0.625 19605 2544 1 8 . 1 1 12 12 VAL CA C 12 67.280 67.280 66.703 0.577 19605 2545 1 8 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.696 -0.577 19605 2546 1 8 . 1 1 12 12 VAL H H 12 8.422 8.422 8.017 0.405 19605 2547 1 8 . 1 1 13 13 ASP N N 13 121.428 121.428 119.141 2.287 19605 2548 1 8 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.301 -0.100 19605 2549 1 8 . 1 1 13 13 ASP C C 13 179.002 179.002 177.813 1.189 19605 2550 1 8 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.923 0.047 19605 2551 1 8 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.510 -0.876 19605 2552 1 8 . 1 1 13 13 ASP H H 13 8.085 8.085 8.648 -0.563 19605 2553 1 8 . 1 1 14 14 ALA N N 14 126.571 126.571 121.252 5.319 19605 2554 1 8 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.168 -0.110 19605 2555 1 8 . 1 1 14 14 ALA C C 14 180.675 180.675 179.022 1.653 19605 2556 1 8 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.608 -0.343 19605 2557 1 8 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.539 -0.067 19605 2558 1 8 . 1 1 14 14 ALA H H 14 8.043 8.043 7.184 0.859 19605 2559 1 8 . 1 1 15 15 ALA N N 15 124.633 124.633 121.268 3.365 19605 2560 1 8 . 1 1 15 15 ALA HA H 15 3.747 3.747 3.994 -0.247 19605 2561 1 8 . 1 1 15 15 ALA C C 15 178.507 178.507 179.511 -1.004 19605 2562 1 8 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.824 -0.034 19605 2563 1 8 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.195 -0.219 19605 2564 1 8 . 1 1 15 15 ALA H H 15 8.580 8.580 7.799 0.781 19605 2565 1 8 . 1 1 16 16 ARG N N 16 119.849 119.849 118.661 1.188 19605 2566 1 8 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.037 -0.410 19605 2567 1 8 . 1 1 16 16 ARG C C 16 177.918 177.918 178.318 -0.400 19605 2568 1 8 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.402 0.732 19605 2569 1 8 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.204 -0.490 19605 2570 1 8 . 1 1 16 16 ARG H H 16 8.538 8.538 8.264 0.274 19605 2571 1 8 . 1 1 17 17 GLN N N 17 119.457 119.457 118.545 0.912 19605 2572 1 8 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.048 -0.350 19605 2573 1 8 . 1 1 17 17 GLN C C 17 177.352 177.352 178.299 -0.947 19605 2574 1 8 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.988 -0.755 19605 2575 1 8 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.629 -0.816 19605 2576 1 8 . 1 1 17 17 GLN H H 17 7.522 7.522 7.599 -0.077 19605 2577 1 8 . 1 1 18 18 ARG N N 18 120.878 120.878 120.561 0.317 19605 2578 1 8 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.019 -0.078 19605 2579 1 8 . 1 1 18 18 ARG C C 18 179.662 179.662 178.923 0.739 19605 2580 1 8 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.460 -1.116 19605 2581 1 8 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.016 -0.550 19605 2582 1 8 . 1 1 18 18 ARG H H 18 7.977 7.977 7.758 0.219 19605 2583 1 8 . 1 1 19 19 LEU N N 19 120.628 120.628 120.027 0.601 19605 2584 1 8 . 1 1 19 19 LEU HA H 19 3.786 3.786 3.724 0.062 19605 2585 1 8 . 1 1 19 19 LEU C C 19 178.578 178.578 178.874 -0.296 19605 2586 1 8 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.462 -0.478 19605 2587 1 8 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.756 0.109 19605 2588 1 8 . 1 1 19 19 LEU H H 19 7.829 7.829 7.684 0.145 19605 2589 1 8 . 1 1 20 20 LYS N N 20 123.180 123.180 119.613 3.567 19605 2590 1 8 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.221 0.136 19605 2591 1 8 . 1 1 20 20 LYS C C 20 181.925 181.925 179.706 2.219 19605 2592 1 8 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.442 0.025 19605 2593 1 8 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.115 -0.169 19605 2594 1 8 . 1 1 20 20 LYS H H 20 8.064 8.064 7.696 0.368 19605 2595 1 8 . 1 1 21 21 ASP N N 21 124.388 124.388 119.933 4.455 19605 2596 1 8 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.533 -0.267 19605 2597 1 8 . 1 1 21 21 ASP C C 21 177.281 177.281 176.899 0.382 19605 2598 1 8 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.554 0.387 19605 2599 1 8 . 1 1 21 21 ASP CB C 21 40.294 40.294 40.995 -0.701 19605 2600 1 8 . 1 1 21 21 ASP H H 21 8.756 8.756 7.885 0.871 19605 2601 1 8 . 1 1 22 22 ALA N N 22 121.900 121.900 119.674 2.226 19605 2602 1 8 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.646 -0.276 19605 2603 1 8 . 1 1 22 22 ALA C C 22 176.480 176.480 177.710 -1.230 19605 2604 1 8 . 1 1 22 22 ALA CA C 22 51.289 51.289 52.061 -0.772 19605 2605 1 8 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.131 -0.329 19605 2606 1 8 . 1 1 22 22 ALA H H 22 7.142 7.142 7.558 -0.416 19605 2607 1 8 . 1 1 23 23 GLY N N 23 108.215 108.215 106.579 1.636 19605 2608 1 8 . 1 1 23 23 GLY C C 23 174.288 174.288 174.387 -0.099 19605 2609 1 8 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.382 -0.706 19605 2610 1 8 . 1 1 23 23 GLY H H 23 7.823 7.823 7.696 0.127 19605 2611 1 8 . 1 1 24 24 PHE N N 24 120.200 120.200 118.692 1.508 19605 2612 1 8 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.709 -0.495 19605 2613 1 8 . 1 1 24 24 PHE C C 24 175.608 175.608 174.981 0.627 19605 2614 1 8 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.672 2.058 19605 2615 1 8 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.601 -1.629 19605 2616 1 8 . 1 1 24 24 PHE H H 24 7.576 7.576 8.352 -0.776 19605 2617 1 8 . 1 1 25 25 GLN N N 25 121.644 121.644 118.653 2.991 19605 2618 1 8 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.652 -0.316 19605 2619 1 8 . 1 1 25 25 GLN C C 25 175.019 175.019 174.372 0.647 19605 2620 1 8 . 1 1 25 25 GLN CA C 25 54.510 54.510 54.653 -0.143 19605 2621 1 8 . 1 1 25 25 GLN CB C 25 31.222 31.222 31.612 -0.390 19605 2622 1 8 . 1 1 25 25 GLN H H 25 7.813 7.813 8.540 -0.727 19605 2623 1 8 . 1 1 26 26 VAL N N 26 124.721 124.721 121.040 3.681 19605 2624 1 8 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.200 0.624 19605 2625 1 8 . 1 1 26 26 VAL C C 26 176.574 176.574 174.808 1.766 19605 2626 1 8 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.677 -0.460 19605 2627 1 8 . 1 1 26 26 VAL CB C 26 33.186 33.186 33.020 0.166 19605 2628 1 8 . 1 1 26 26 VAL H H 26 8.580 8.580 8.397 0.183 19605 2629 1 8 . 1 1 27 27 ALA N N 27 134.373 134.373 130.095 4.278 19605 2630 1 8 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.548 -0.503 19605 2631 1 8 . 1 1 27 27 ALA C C 27 178.342 178.342 176.472 1.870 19605 2632 1 8 . 1 1 27 27 ALA CA C 27 52.116 52.116 51.758 0.359 19605 2633 1 8 . 1 1 27 27 ALA CB C 27 18.472 18.472 20.393 -1.921 19605 2634 1 8 . 1 1 27 27 ALA H H 27 8.379 8.379 8.248 0.131 19605 2635 1 8 . 1 1 28 28 ASP N N 28 124.562 124.562 119.070 5.492 19605 2636 1 8 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.616 -0.428 19605 2637 1 8 . 1 1 28 28 ASP C C 28 176.668 176.668 176.270 0.398 19605 2638 1 8 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.465 2.131 19605 2639 1 8 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.348 -0.119 19605 2640 1 8 . 1 1 28 28 ASP H H 28 8.614 8.614 8.612 0.002 19605 2641 1 8 . 1 1 29 29 GLN N N 29 118.753 118.753 119.494 -0.741 19605 2642 1 8 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.364 0.122 19605 2643 1 8 . 1 1 29 29 GLN C C 29 177.261 177.261 174.748 2.513 19605 2644 1 8 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.307 -2.042 19605 2645 1 8 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.334 0.766 19605 2646 1 8 . 1 1 29 29 GLN H H 29 7.779 7.779 8.077 -0.298 19605 2647 1 8 . 1 1 30 30 THR N N 30 116.584 116.584 115.271 1.313 19605 2648 1 8 . 1 1 30 30 THR HA H 30 4.422 4.422 4.578 -0.156 19605 2649 1 8 . 1 1 30 30 THR C C 30 173.887 173.887 173.415 0.472 19605 2650 1 8 . 1 1 30 30 THR CA C 30 60.402 60.402 60.458 -0.056 19605 2651 1 8 . 1 1 30 30 THR CB C 30 70.054 70.054 71.097 -1.043 19605 2652 1 8 . 1 1 30 30 THR H H 30 8.167 8.167 8.293 -0.126 19605 2653 1 8 . 1 1 31 31 ASN N N 31 120.109 120.109 121.238 -1.129 19605 2654 1 8 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.953 -0.012 19605 2655 1 8 . 1 1 31 31 ASN C C 31 173.981 173.981 173.752 0.229 19605 2656 1 8 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.667 -1.461 19605 2657 1 8 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.929 0.768 19605 2658 1 8 . 1 1 31 31 ASN H H 31 8.284 8.284 8.485 -0.201 19605 2659 1 8 . 1 1 32 32 SER N N 32 123.634 123.634 119.272 4.362 19605 2660 1 8 . 1 1 32 32 SER HA H 32 5.032 5.032 5.125 -0.093 19605 2661 1 8 . 1 1 32 32 SER C C 32 174.099 174.099 173.762 0.337 19605 2662 1 8 . 1 1 32 32 SER CA C 32 57.596 57.596 57.633 -0.037 19605 2663 1 8 . 1 1 32 32 SER CB C 32 63.862 63.862 65.179 -1.317 19605 2664 1 8 . 1 1 32 32 SER H H 32 8.479 8.479 8.570 -0.091 19605 2665 1 8 . 1 1 33 33 VAL N N 33 121.104 121.104 121.575 -0.471 19605 2666 1 8 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.550 -0.076 19605 2667 1 8 . 1 1 33 33 VAL C C 33 174.406 174.406 174.206 0.200 19605 2668 1 8 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.810 -1.372 19605 2669 1 8 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.256 -0.086 19605 2670 1 8 . 1 1 33 33 VAL H H 33 8.730 8.730 8.654 0.076 19605 2671 1 8 . 1 1 34 34 ASN N N 34 123.720 123.720 124.477 -0.757 19605 2672 1 8 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.447 -0.604 19605 2673 1 8 . 1 1 34 34 ASN C C 34 175.443 175.443 174.958 0.485 19605 2674 1 8 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.624 -0.186 19605 2675 1 8 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.334 -1.766 19605 2676 1 8 . 1 1 34 34 ASN H H 34 8.282 8.282 8.662 -0.380 19605 2677 1 8 . 1 1 35 35 SER N N 35 120.866 120.866 116.051 4.815 19605 2678 1 8 . 1 1 35 35 SER HA H 35 4.292 4.292 4.662 -0.370 19605 2679 1 8 . 1 1 35 35 SER C C 35 172.214 172.214 173.237 -1.023 19605 2680 1 8 . 1 1 35 35 SER CA C 35 58.531 58.531 57.567 0.964 19605 2681 1 8 . 1 1 35 35 SER CB C 35 63.114 63.114 64.293 -1.179 19605 2682 1 8 . 1 1 35 35 SER H H 35 7.987 7.987 8.488 -0.501 19605 2683 1 8 . 1 1 36 36 SER N N 36 119.438 119.438 114.665 4.773 19605 2684 1 8 . 1 1 36 36 SER HA H 36 4.266 4.266 4.559 -0.293 19605 2685 1 8 . 1 1 36 36 SER C C 36 175.254 175.254 173.882 1.372 19605 2686 1 8 . 1 1 36 36 SER CA C 36 58.195 58.195 58.671 -0.476 19605 2687 1 8 . 1 1 36 36 SER CB C 36 63.145 63.145 63.107 0.038 19605 2688 1 8 . 1 1 36 36 SER H H 36 7.972 7.972 8.385 -0.413 19605 2689 1 8 . 1 1 37 37 ALA N N 37 128.628 128.628 124.785 3.843 19605 2690 1 8 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.491 -0.433 19605 2691 1 8 . 1 1 37 37 ALA C C 37 177.918 177.918 175.756 2.162 19605 2692 1 8 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.724 0.989 19605 2693 1 8 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.482 -2.762 19605 2694 1 8 . 1 1 37 37 ALA H H 37 8.386 8.386 7.477 0.909 19605 2695 1 8 . 1 1 38 38 LYS N N 38 125.515 125.515 119.883 5.632 19605 2696 1 8 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.392 -0.580 19605 2697 1 8 . 1 1 38 38 LYS C C 38 174.854 174.854 176.196 -1.342 19605 2698 1 8 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.158 1.409 19605 2699 1 8 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.250 -0.973 19605 2700 1 8 . 1 1 38 38 LYS H H 38 8.320 8.320 8.488 -0.168 19605 2701 1 8 . 1 1 39 39 TYR N N 39 124.088 124.088 127.959 -3.871 19605 2702 1 8 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.314 -0.759 19605 2703 1 8 . 1 1 39 39 TYR C C 39 177.328 177.328 176.739 0.589 19605 2704 1 8 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.868 1.065 19605 2705 1 8 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.719 -0.202 19605 2706 1 8 . 1 1 39 39 TYR H H 39 8.248 8.248 8.762 -0.514 19605 2707 1 8 . 1 1 40 40 GLY N N 40 117.795 117.795 114.445 3.350 19605 2708 1 8 . 1 1 40 40 GLY C C 40 173.534 173.534 173.354 0.180 19605 2709 1 8 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.653 0.598 19605 2710 1 8 . 1 1 40 40 GLY H H 40 8.454 8.454 8.291 0.163 19605 2711 1 8 . 1 1 41 41 GLU N N 41 124.175 124.175 122.518 1.657 19605 2712 1 8 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.628 -0.674 19605 2713 1 8 . 1 1 41 41 GLU C C 41 176.103 176.103 175.712 0.391 19605 2714 1 8 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.730 1.024 19605 2715 1 8 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.065 -0.194 19605 2716 1 8 . 1 1 41 41 GLU H H 41 7.930 7.930 7.619 0.311 19605 2717 1 8 . 1 1 42 42 VAL N N 42 126.109 126.109 126.611 -0.502 19605 2718 1 8 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.097 -0.130 19605 2719 1 8 . 1 1 42 42 VAL C C 42 177.682 177.682 176.194 1.488 19605 2720 1 8 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.189 0.417 19605 2721 1 8 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.498 0.621 19605 2722 1 8 . 1 1 42 42 VAL H H 42 8.409 8.409 8.762 -0.353 19605 2723 1 8 . 1 1 43 43 VAL N N 43 123.554 123.554 123.474 0.080 19605 2724 1 8 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.486 -0.181 19605 2725 1 8 . 1 1 43 43 VAL C C 43 175.419 175.419 175.798 -0.379 19605 2726 1 8 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.752 -1.536 19605 2727 1 8 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.692 0.163 19605 2728 1 8 . 1 1 43 43 VAL H H 43 8.738 8.738 7.833 0.905 19605 2729 1 8 . 1 1 44 44 GLY N N 44 110.450 110.450 110.370 0.080 19605 2730 1 8 . 1 1 44 44 GLY C C 44 171.271 171.271 172.278 -1.007 19605 2731 1 8 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.817 -0.141 19605 2732 1 8 . 1 1 44 44 GLY H H 44 7.344 7.344 7.814 -0.470 19605 2733 1 8 . 1 1 45 45 THR N N 45 109.623 109.623 116.564 -6.941 19605 2734 1 8 . 1 1 45 45 THR HA H 45 4.912 4.912 5.244 -0.332 19605 2735 1 8 . 1 1 45 45 THR C C 45 173.039 173.039 174.203 -1.164 19605 2736 1 8 . 1 1 45 45 THR CA C 45 58.852 58.852 59.380 -0.528 19605 2737 1 8 . 1 1 45 45 THR CB C 45 72.373 72.373 72.022 0.351 19605 2738 1 8 . 1 1 45 45 THR H H 45 8.005 8.005 7.968 0.037 19605 2739 1 8 . 1 1 46 46 SER N N 46 115.547 115.547 117.257 -1.710 19605 2740 1 8 . 1 1 46 46 SER HA H 46 4.396 4.396 4.500 -0.104 19605 2741 1 8 . 1 1 46 46 SER CA C 46 54.603 54.603 60.529 -5.926 19605 2742 1 8 . 1 1 46 46 SER CB C 46 64.891 64.891 62.147 2.744 19605 2743 1 8 . 1 1 46 46 SER H H 46 8.467 8.467 8.421 0.046 19605 2744 1 8 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.428 0.296 19605 2745 1 8 . 1 1 47 47 PRO C C 47 174.783 174.783 175.281 -0.498 19605 2746 1 8 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.990 0.030 19605 2747 1 8 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.511 2.576 19605 2748 1 8 . 1 1 48 48 SER N N 48 115.136 115.136 116.736 -1.600 19605 2749 1 8 . 1 1 48 48 SER HA H 48 3.864 3.864 4.606 -0.742 19605 2750 1 8 . 1 1 48 48 SER C C 48 173.086 173.086 175.006 -1.920 19605 2751 1 8 . 1 1 48 48 SER CA C 48 56.754 56.754 57.003 -0.249 19605 2752 1 8 . 1 1 48 48 SER CB C 48 64.763 64.763 64.827 -0.064 19605 2753 1 8 . 1 1 48 48 SER H H 48 8.286 8.286 8.258 0.028 19605 2754 1 8 . 1 1 49 49 GLY N N 49 112.028 112.028 113.471 -1.443 19605 2755 1 8 . 1 1 49 49 GLY C C 49 173.604 173.604 173.731 -0.127 19605 2756 1 8 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.569 -1.728 19605 2757 1 8 . 1 1 49 49 GLY H H 49 8.727 8.727 8.786 -0.059 19605 2758 1 8 . 1 1 50 50 GLN N N 50 125.944 125.944 125.477 0.467 19605 2759 1 8 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.363 0.248 19605 2760 1 8 . 1 1 50 50 GLN C C 50 175.513 175.513 174.680 0.833 19605 2761 1 8 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.711 0.015 19605 2762 1 8 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.704 1.583 19605 2763 1 8 . 1 1 50 50 GLN H H 50 8.317 8.317 8.169 0.148 19605 2764 1 8 . 1 1 51 51 THR N N 51 121.904 121.904 117.426 4.478 19605 2765 1 8 . 1 1 51 51 THR HA H 51 4.512 4.512 4.614 -0.102 19605 2766 1 8 . 1 1 51 51 THR C C 51 172.968 172.968 173.778 -0.810 19605 2767 1 8 . 1 1 51 51 THR CA C 51 59.747 59.747 61.248 -1.501 19605 2768 1 8 . 1 1 51 51 THR CB C 51 69.193 69.193 71.646 -2.453 19605 2769 1 8 . 1 1 51 51 THR H H 51 8.676 8.676 8.278 0.398 19605 2770 1 8 . 1 1 52 52 ILE N N 52 125.386 125.386 124.504 0.882 19605 2771 1 8 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.389 -0.144 19605 2772 1 8 . 1 1 52 52 ILE CA C 52 58.812 58.812 56.941 1.871 19605 2773 1 8 . 1 1 52 52 ILE CB C 52 39.078 39.078 39.569 -0.491 19605 2774 1 8 . 1 1 52 52 ILE H H 52 7.932 7.932 8.534 -0.602 19605 2775 1 8 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.436 -0.449 19605 2776 1 8 . 1 1 53 53 PRO C C 53 177.611 177.611 176.881 0.730 19605 2777 1 8 . 1 1 53 53 PRO CA C 53 63.950 63.950 62.996 0.954 19605 2778 1 8 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.541 0.519 19605 2779 1 8 . 1 1 54 54 GLY N N 54 112.497 112.497 111.808 0.689 19605 2780 1 8 . 1 1 54 54 GLY C C 54 174.123 174.123 174.401 -0.278 19605 2781 1 8 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.022 0.344 19605 2782 1 8 . 1 1 54 54 GLY H H 54 7.868 7.868 8.717 -0.849 19605 2783 1 8 . 1 1 55 55 SER N N 55 116.653 116.653 115.935 0.718 19605 2784 1 8 . 1 1 55 55 SER HA H 55 4.253 4.253 4.782 -0.529 19605 2785 1 8 . 1 1 55 55 SER C C 55 172.261 172.261 173.639 -1.378 19605 2786 1 8 . 1 1 55 55 SER CA C 55 59.467 59.467 57.504 1.963 19605 2787 1 8 . 1 1 55 55 SER CB C 55 64.049 64.049 64.953 -0.903 19605 2788 1 8 . 1 1 55 55 SER H H 55 7.412 7.412 8.128 -0.716 19605 2789 1 8 . 1 1 56 56 ILE N N 56 122.704 122.704 122.663 0.041 19605 2790 1 8 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.343 -0.214 19605 2791 1 8 . 1 1 56 56 ILE C C 56 176.338 176.338 174.640 1.698 19605 2792 1 8 . 1 1 56 56 ILE CA C 56 61.711 61.711 60.570 1.141 19605 2793 1 8 . 1 1 56 56 ILE CB C 56 38.611 38.611 39.184 -0.573 19605 2794 1 8 . 1 1 56 56 ILE H H 56 8.139 8.139 8.179 -0.040 19605 2795 1 8 . 1 1 57 57 VAL N N 57 131.677 131.677 129.384 2.293 19605 2796 1 8 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.404 -0.008 19605 2797 1 8 . 1 1 57 57 VAL C C 57 174.382 174.382 174.364 0.018 19605 2798 1 8 . 1 1 57 57 VAL CA C 57 60.963 60.963 60.880 0.083 19605 2799 1 8 . 1 1 57 57 VAL CB C 57 34.589 34.589 33.071 1.518 19605 2800 1 8 . 1 1 57 57 VAL H H 57 8.851 8.851 8.560 0.291 19605 2801 1 8 . 1 1 58 58 THR N N 58 125.399 125.399 124.759 0.640 19605 2802 1 8 . 1 1 58 58 THR HA H 58 4.551 4.551 4.592 -0.041 19605 2803 1 8 . 1 1 58 58 THR C C 58 174.712 174.712 173.516 1.196 19605 2804 1 8 . 1 1 58 58 THR CA C 58 61.431 61.431 61.928 -0.497 19605 2805 1 8 . 1 1 58 58 THR CB C 58 69.661 69.661 70.380 -0.719 19605 2806 1 8 . 1 1 58 58 THR H H 58 8.745 8.745 8.434 0.311 19605 2807 1 8 . 1 1 59 59 ILE N N 59 132.342 132.342 126.636 5.706 19605 2808 1 8 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.260 -0.682 19605 2809 1 8 . 1 1 59 59 ILE C C 59 173.675 173.675 174.958 -1.283 19605 2810 1 8 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.041 1.886 19605 2811 1 8 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.117 0.277 19605 2812 1 8 . 1 1 59 59 ILE H H 59 9.185 9.185 8.799 0.386 19605 2813 1 8 . 1 1 60 60 GLN N N 60 127.338 127.338 126.555 0.783 19605 2814 1 8 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.370 -0.228 19605 2815 1 8 . 1 1 60 60 GLN C C 60 176.008 176.008 175.091 0.917 19605 2816 1 8 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.078 -1.466 19605 2817 1 8 . 1 1 60 60 GLN CB C 60 28.887 28.887 31.931 -3.044 19605 2818 1 8 . 1 1 60 60 GLN H H 60 8.290 8.290 8.871 -0.581 19605 2819 1 8 . 1 1 61 61 ILE N N 61 120.103 120.103 118.233 1.870 19605 2820 1 8 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.217 -0.172 19605 2821 1 8 . 1 1 61 61 ILE C C 61 173.392 173.392 174.378 -0.986 19605 2822 1 8 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.039 -0.467 19605 2823 1 8 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.883 0.094 19605 2824 1 8 . 1 1 61 61 ILE H H 61 8.750 8.750 7.997 0.753 19605 2825 1 8 . 1 1 62 62 SER N N 62 116.310 116.310 116.149 0.161 19605 2826 1 8 . 1 1 62 62 SER HA H 62 4.438 4.438 5.294 -0.856 19605 2827 1 8 . 1 1 62 62 SER C C 62 177.140 177.140 174.972 2.168 19605 2828 1 8 . 1 1 62 62 SER CA C 62 57.035 57.035 55.999 1.036 19605 2829 1 8 . 1 1 62 62 SER CB C 62 62.830 62.830 64.330 -1.500 19605 2830 1 8 . 1 1 62 62 SER H H 62 8.343 8.343 8.119 0.224 19605 2831 1 8 . 1 1 63 63 ASN N N 63 128.919 128.919 122.792 6.127 19605 2832 1 8 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.136 -0.559 19605 2833 1 8 . 1 1 63 63 ASN C C 63 176.645 176.645 175.281 1.364 19605 2834 1 8 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.521 0.221 19605 2835 1 8 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.037 0.068 19605 2836 1 8 . 1 1 63 63 ASN H H 63 8.805 8.805 9.106 -0.301 19605 2837 1 8 . 1 1 64 64 GLY N N 64 111.519 111.519 110.414 1.105 19605 2838 1 8 . 1 1 64 64 GLY C C 64 173.227 173.227 174.621 -1.394 19605 2839 1 8 . 1 1 64 64 GLY CA C 64 46.052 46.052 43.895 2.157 19605 2840 1 8 . 1 1 64 64 GLY H H 64 8.676 8.676 8.862 -0.186 19605 2841 1 9 . 1 1 2 2 SER N N 2 116.880 116.880 116.418 0.462 19605 2842 1 9 . 1 1 2 2 SER HA H 2 4.512 4.512 4.529 -0.017 19605 2843 1 9 . 1 1 2 2 SER C C 2 173.604 173.604 174.431 -0.827 19605 2844 1 9 . 1 1 2 2 SER CA C 2 57.780 57.780 58.504 -0.724 19605 2845 1 9 . 1 1 2 2 SER CB C 2 64.797 64.797 63.443 1.354 19605 2846 1 9 . 1 1 2 2 SER H H 2 8.343 8.343 8.227 0.116 19605 2847 1 9 . 1 1 3 3 ARG N N 3 125.018 125.018 124.725 0.293 19605 2848 1 9 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.489 -0.101 19605 2849 1 9 . 1 1 3 3 ARG C C 3 176.056 176.056 174.757 1.299 19605 2850 1 9 . 1 1 3 3 ARG CA C 3 55.092 55.092 55.845 -0.753 19605 2851 1 9 . 1 1 3 3 ARG CB C 3 30.458 30.458 31.923 -1.465 19605 2852 1 9 . 1 1 3 3 ARG H H 3 8.135 8.135 8.529 -0.394 19605 2853 1 9 . 1 1 4 4 VAL N N 4 130.625 130.625 123.539 7.086 19605 2854 1 9 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.187 -0.558 19605 2855 1 9 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.433 -0.216 19605 2856 1 9 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.238 -0.540 19605 2857 1 9 . 1 1 4 4 VAL H H 4 8.329 8.329 7.931 0.398 19605 2858 1 9 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.454 -0.287 19605 2859 1 9 . 1 1 5 5 PRO C C 5 175.420 175.420 176.161 -0.741 19605 2860 1 9 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.561 -0.278 19605 2861 1 9 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.400 -0.702 19605 2862 1 9 . 1 1 6 6 SER N N 6 117.470 117.470 117.175 0.295 19605 2863 1 9 . 1 1 6 6 SER HA H 6 4.240 4.240 4.433 -0.193 19605 2864 1 9 . 1 1 6 6 SER C C 6 176.008 176.008 174.551 1.457 19605 2865 1 9 . 1 1 6 6 SER CA C 6 58.251 58.251 58.103 0.148 19605 2866 1 9 . 1 1 6 6 SER CB C 6 62.779 62.779 63.531 -0.752 19605 2867 1 9 . 1 1 6 6 SER H H 6 8.303 8.303 8.490 -0.187 19605 2868 1 9 . 1 1 7 7 VAL N N 7 120.063 120.063 127.019 -6.956 19605 2869 1 9 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.226 0.051 19605 2870 1 9 . 1 1 7 7 VAL C C 7 173.746 173.746 175.108 -1.362 19605 2871 1 9 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.291 -2.232 19605 2872 1 9 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.463 -0.434 19605 2873 1 9 . 1 1 7 7 VAL H H 7 8.733 8.733 8.681 0.052 19605 2874 1 9 . 1 1 8 8 ALA N N 8 124.872 124.872 122.999 1.873 19605 2875 1 9 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.325 -0.734 19605 2876 1 9 . 1 1 8 8 ALA C C 8 178.648 178.648 178.194 0.454 19605 2877 1 9 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.392 -0.367 19605 2878 1 9 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.059 -0.746 19605 2879 1 9 . 1 1 8 8 ALA H H 8 6.818 6.818 7.755 -0.937 19605 2880 1 9 . 1 1 9 9 GLY N N 9 112.849 112.849 113.265 -0.416 19605 2881 1 9 . 1 1 9 9 GLY C C 9 174.194 174.194 173.916 0.278 19605 2882 1 9 . 1 1 9 9 GLY CA C 9 44.924 44.924 44.949 -0.025 19605 2883 1 9 . 1 1 9 9 GLY H H 9 8.488 8.488 9.060 -0.572 19605 2884 1 9 . 1 1 10 10 LEU N N 10 122.262 122.262 120.882 1.380 19605 2885 1 9 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.627 -0.270 19605 2886 1 9 . 1 1 10 10 LEU C C 10 176.409 176.409 175.874 0.535 19605 2887 1 9 . 1 1 10 10 LEU CA C 10 53.604 53.604 54.169 -0.565 19605 2888 1 9 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.082 -0.307 19605 2889 1 9 . 1 1 10 10 LEU H H 10 7.247 7.247 7.830 -0.583 19605 2890 1 9 . 1 1 11 11 ASP N N 11 118.831 118.831 118.858 -0.027 19605 2891 1 9 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.797 -0.054 19605 2892 1 9 . 1 1 11 11 ASP C C 11 176.857 176.857 178.168 -1.311 19605 2893 1 9 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.016 -1.570 19605 2894 1 9 . 1 1 11 11 ASP CB C 11 41.369 41.369 43.044 -1.675 19605 2895 1 9 . 1 1 11 11 ASP H H 11 7.615 7.615 8.278 -0.663 19605 2896 1 9 . 1 1 12 12 VAL N N 12 122.055 122.055 122.026 0.029 19605 2897 1 9 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.613 -0.380 19605 2898 1 9 . 1 1 12 12 VAL C C 12 177.022 177.022 177.808 -0.786 19605 2899 1 9 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.047 0.233 19605 2900 1 9 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.715 -0.596 19605 2901 1 9 . 1 1 12 12 VAL H H 12 8.422 8.422 8.242 0.180 19605 2902 1 9 . 1 1 13 13 ASP N N 13 121.428 121.428 119.962 1.466 19605 2903 1 9 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.319 -0.118 19605 2904 1 9 . 1 1 13 13 ASP C C 13 179.002 179.002 178.144 0.858 19605 2905 1 9 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.995 -0.025 19605 2906 1 9 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.468 -0.834 19605 2907 1 9 . 1 1 13 13 ASP H H 13 8.085 8.085 7.884 0.201 19605 2908 1 9 . 1 1 14 14 ALA N N 14 126.571 126.571 121.235 5.336 19605 2909 1 9 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.243 -0.185 19605 2910 1 9 . 1 1 14 14 ALA C C 14 180.675 180.675 179.253 1.422 19605 2911 1 9 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.580 -0.314 19605 2912 1 9 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.285 0.188 19605 2913 1 9 . 1 1 14 14 ALA H H 14 8.043 8.043 7.275 0.768 19605 2914 1 9 . 1 1 15 15 ALA N N 15 124.633 124.633 121.232 3.401 19605 2915 1 9 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.013 -0.266 19605 2916 1 9 . 1 1 15 15 ALA C C 15 178.507 178.507 179.482 -0.975 19605 2917 1 9 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.844 -0.054 19605 2918 1 9 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.109 -0.133 19605 2919 1 9 . 1 1 15 15 ALA H H 15 8.580 8.580 7.801 0.779 19605 2920 1 9 . 1 1 16 16 ARG N N 16 119.849 119.849 118.558 1.291 19605 2921 1 9 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.064 -0.437 19605 2922 1 9 . 1 1 16 16 ARG C C 16 177.918 177.918 178.438 -0.520 19605 2923 1 9 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.422 0.712 19605 2924 1 9 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.317 -0.603 19605 2925 1 9 . 1 1 16 16 ARG H H 16 8.538 8.538 8.259 0.279 19605 2926 1 9 . 1 1 17 17 GLN N N 17 119.457 119.457 118.385 1.072 19605 2927 1 9 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.118 -0.420 19605 2928 1 9 . 1 1 17 17 GLN C C 17 177.352 177.352 178.634 -1.282 19605 2929 1 9 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.539 -0.306 19605 2930 1 9 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.261 -0.448 19605 2931 1 9 . 1 1 17 17 GLN H H 17 7.522 7.522 7.600 -0.078 19605 2932 1 9 . 1 1 18 18 ARG N N 18 120.878 120.878 119.901 0.977 19605 2933 1 9 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.082 -0.141 19605 2934 1 9 . 1 1 18 18 ARG C C 18 179.662 179.662 178.866 0.796 19605 2935 1 9 . 1 1 18 18 ARG CA C 18 58.344 58.344 58.988 -0.644 19605 2936 1 9 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.061 -0.595 19605 2937 1 9 . 1 1 18 18 ARG H H 18 7.977 7.977 7.912 0.065 19605 2938 1 9 . 1 1 19 19 LEU N N 19 120.628 120.628 120.328 0.300 19605 2939 1 9 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.117 -0.331 19605 2940 1 9 . 1 1 19 19 LEU C C 19 178.578 178.578 178.993 -0.415 19605 2941 1 9 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.555 -0.570 19605 2942 1 9 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.764 0.101 19605 2943 1 9 . 1 1 19 19 LEU H H 19 7.829 7.829 7.842 -0.013 19605 2944 1 9 . 1 1 20 20 LYS N N 20 123.180 123.180 119.645 3.535 19605 2945 1 9 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.191 0.166 19605 2946 1 9 . 1 1 20 20 LYS C C 20 181.925 181.925 179.567 2.358 19605 2947 1 9 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.385 0.082 19605 2948 1 9 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.038 -0.092 19605 2949 1 9 . 1 1 20 20 LYS H H 20 8.064 8.064 7.748 0.316 19605 2950 1 9 . 1 1 21 21 ASP N N 21 124.388 124.388 120.145 4.243 19605 2951 1 9 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.529 -0.263 19605 2952 1 9 . 1 1 21 21 ASP C C 21 177.281 177.281 176.878 0.403 19605 2953 1 9 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.545 0.396 19605 2954 1 9 . 1 1 21 21 ASP CB C 21 40.294 40.294 40.997 -0.703 19605 2955 1 9 . 1 1 21 21 ASP H H 21 8.756 8.756 7.905 0.851 19605 2956 1 9 . 1 1 22 22 ALA N N 22 121.900 121.900 119.584 2.316 19605 2957 1 9 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.555 -0.185 19605 2958 1 9 . 1 1 22 22 ALA C C 22 176.480 176.480 177.365 -0.885 19605 2959 1 9 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.953 -0.664 19605 2960 1 9 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.224 -0.422 19605 2961 1 9 . 1 1 22 22 ALA H H 22 7.142 7.142 7.596 -0.454 19605 2962 1 9 . 1 1 23 23 GLY N N 23 108.215 108.215 106.371 1.844 19605 2963 1 9 . 1 1 23 23 GLY C C 23 174.288 174.288 174.208 0.080 19605 2964 1 9 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.166 -0.490 19605 2965 1 9 . 1 1 23 23 GLY H H 23 7.823 7.823 7.562 0.261 19605 2966 1 9 . 1 1 24 24 PHE N N 24 120.200 120.200 118.861 1.339 19605 2967 1 9 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.738 -0.524 19605 2968 1 9 . 1 1 24 24 PHE C C 24 175.608 175.608 174.956 0.652 19605 2969 1 9 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.848 1.881 19605 2970 1 9 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.692 -1.720 19605 2971 1 9 . 1 1 24 24 PHE H H 24 7.576 7.576 8.175 -0.599 19605 2972 1 9 . 1 1 25 25 GLN N N 25 121.644 121.644 118.928 2.716 19605 2973 1 9 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.640 -0.304 19605 2974 1 9 . 1 1 25 25 GLN C C 25 175.019 175.019 174.759 0.260 19605 2975 1 9 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.114 -0.604 19605 2976 1 9 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.371 -1.149 19605 2977 1 9 . 1 1 25 25 GLN H H 25 7.813 7.813 8.702 -0.889 19605 2978 1 9 . 1 1 26 26 VAL N N 26 124.721 124.721 121.891 2.830 19605 2979 1 9 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.227 0.597 19605 2980 1 9 . 1 1 26 26 VAL C C 26 176.574 176.574 175.589 0.985 19605 2981 1 9 . 1 1 26 26 VAL CA C 26 60.217 60.217 61.683 -1.466 19605 2982 1 9 . 1 1 26 26 VAL CB C 26 33.186 33.186 32.331 0.855 19605 2983 1 9 . 1 1 26 26 VAL H H 26 8.580 8.580 8.477 0.103 19605 2984 1 9 . 1 1 27 27 ALA N N 27 134.373 134.373 130.489 3.884 19605 2985 1 9 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.223 -0.178 19605 2986 1 9 . 1 1 27 27 ALA C C 27 178.342 178.342 176.822 1.520 19605 2987 1 9 . 1 1 27 27 ALA CA C 27 52.116 52.116 52.619 -0.503 19605 2988 1 9 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.506 -1.034 19605 2989 1 9 . 1 1 27 27 ALA H H 27 8.379 8.379 8.192 0.187 19605 2990 1 9 . 1 1 28 28 ASP N N 28 124.562 124.562 118.792 5.770 19605 2991 1 9 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.561 -0.373 19605 2992 1 9 . 1 1 28 28 ASP C C 28 176.668 176.668 176.609 0.059 19605 2993 1 9 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.233 2.363 19605 2994 1 9 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.337 -0.108 19605 2995 1 9 . 1 1 28 28 ASP H H 28 8.614 8.614 8.627 -0.013 19605 2996 1 9 . 1 1 29 29 GLN N N 29 118.753 118.753 120.002 -1.249 19605 2997 1 9 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.319 0.167 19605 2998 1 9 . 1 1 29 29 GLN C C 29 177.261 177.261 174.951 2.310 19605 2999 1 9 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.378 -2.113 19605 3000 1 9 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.142 0.958 19605 3001 1 9 . 1 1 29 29 GLN H H 29 7.779 7.779 8.020 -0.241 19605 3002 1 9 . 1 1 30 30 THR N N 30 116.584 116.584 116.950 -0.366 19605 3003 1 9 . 1 1 30 30 THR HA H 30 4.422 4.422 4.535 -0.113 19605 3004 1 9 . 1 1 30 30 THR C C 30 173.887 173.887 173.332 0.555 19605 3005 1 9 . 1 1 30 30 THR CA C 30 60.402 60.402 60.484 -0.082 19605 3006 1 9 . 1 1 30 30 THR CB C 30 70.054 70.054 70.856 -0.802 19605 3007 1 9 . 1 1 30 30 THR H H 30 8.167 8.167 8.268 -0.101 19605 3008 1 9 . 1 1 31 31 ASN N N 31 120.109 120.109 123.221 -3.112 19605 3009 1 9 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.984 -0.043 19605 3010 1 9 . 1 1 31 31 ASN C C 31 173.981 173.981 173.512 0.469 19605 3011 1 9 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.293 -1.087 19605 3012 1 9 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.911 0.786 19605 3013 1 9 . 1 1 31 31 ASN H H 31 8.284 8.284 8.461 -0.177 19605 3014 1 9 . 1 1 32 32 SER N N 32 123.634 123.634 118.907 4.727 19605 3015 1 9 . 1 1 32 32 SER HA H 32 5.032 5.032 5.216 -0.184 19605 3016 1 9 . 1 1 32 32 SER C C 32 174.099 174.099 174.170 -0.071 19605 3017 1 9 . 1 1 32 32 SER CA C 32 57.596 57.596 56.790 0.806 19605 3018 1 9 . 1 1 32 32 SER CB C 32 63.862 63.862 65.395 -1.534 19605 3019 1 9 . 1 1 32 32 SER H H 32 8.479 8.479 8.392 0.087 19605 3020 1 9 . 1 1 33 33 VAL N N 33 121.104 121.104 119.740 1.364 19605 3021 1 9 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.622 -0.148 19605 3022 1 9 . 1 1 33 33 VAL C C 33 174.406 174.406 174.480 -0.074 19605 3023 1 9 . 1 1 33 33 VAL CA C 33 58.438 58.438 60.200 -1.762 19605 3024 1 9 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.230 -0.060 19605 3025 1 9 . 1 1 33 33 VAL H H 33 8.730 8.730 8.526 0.204 19605 3026 1 9 . 1 1 34 34 ASN N N 34 123.720 123.720 123.643 0.077 19605 3027 1 9 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.619 -0.776 19605 3028 1 9 . 1 1 34 34 ASN C C 34 175.443 175.443 174.807 0.636 19605 3029 1 9 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.460 -0.022 19605 3030 1 9 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.493 -1.926 19605 3031 1 9 . 1 1 34 34 ASN H H 34 8.282 8.282 8.741 -0.459 19605 3032 1 9 . 1 1 35 35 SER N N 35 120.866 120.866 118.196 2.670 19605 3033 1 9 . 1 1 35 35 SER HA H 35 4.292 4.292 4.752 -0.460 19605 3034 1 9 . 1 1 35 35 SER C C 35 172.214 172.214 173.368 -1.154 19605 3035 1 9 . 1 1 35 35 SER CA C 35 58.531 58.531 57.384 1.147 19605 3036 1 9 . 1 1 35 35 SER CB C 35 63.114 63.114 64.757 -1.643 19605 3037 1 9 . 1 1 35 35 SER H H 35 7.987 7.987 8.790 -0.803 19605 3038 1 9 . 1 1 36 36 SER N N 36 119.438 119.438 115.436 4.002 19605 3039 1 9 . 1 1 36 36 SER HA H 36 4.266 4.266 4.601 -0.335 19605 3040 1 9 . 1 1 36 36 SER C C 36 175.254 175.254 175.014 0.240 19605 3041 1 9 . 1 1 36 36 SER CA C 36 58.195 58.195 57.878 0.317 19605 3042 1 9 . 1 1 36 36 SER CB C 36 63.145 63.145 63.058 0.087 19605 3043 1 9 . 1 1 36 36 SER H H 36 7.972 7.972 8.506 -0.534 19605 3044 1 9 . 1 1 37 37 ALA N N 37 128.628 128.628 125.133 3.495 19605 3045 1 9 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.548 -0.490 19605 3046 1 9 . 1 1 37 37 ALA C C 37 177.918 177.918 175.554 2.364 19605 3047 1 9 . 1 1 37 37 ALA CA C 37 51.713 51.713 51.278 0.436 19605 3048 1 9 . 1 1 37 37 ALA CB C 37 18.720 18.720 20.929 -2.209 19605 3049 1 9 . 1 1 37 37 ALA H H 37 8.386 8.386 8.025 0.361 19605 3050 1 9 . 1 1 38 38 LYS N N 38 125.515 125.515 119.751 5.764 19605 3051 1 9 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.531 -0.719 19605 3052 1 9 . 1 1 38 38 LYS C C 38 174.854 174.854 176.192 -1.338 19605 3053 1 9 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.183 1.384 19605 3054 1 9 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.612 -1.335 19605 3055 1 9 . 1 1 38 38 LYS H H 38 8.320 8.320 8.500 -0.180 19605 3056 1 9 . 1 1 39 39 TYR N N 39 124.088 124.088 127.204 -3.116 19605 3057 1 9 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.451 -0.896 19605 3058 1 9 . 1 1 39 39 TYR C C 39 177.328 177.328 176.882 0.446 19605 3059 1 9 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.907 1.027 19605 3060 1 9 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.665 -0.148 19605 3061 1 9 . 1 1 39 39 TYR H H 39 8.248 8.248 8.682 -0.434 19605 3062 1 9 . 1 1 40 40 GLY N N 40 117.795 117.795 114.660 3.135 19605 3063 1 9 . 1 1 40 40 GLY C C 40 173.534 173.534 173.139 0.395 19605 3064 1 9 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.719 0.532 19605 3065 1 9 . 1 1 40 40 GLY H H 40 8.454 8.454 8.440 0.014 19605 3066 1 9 . 1 1 41 41 GLU N N 41 124.175 124.175 122.150 2.025 19605 3067 1 9 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.791 -0.837 19605 3068 1 9 . 1 1 41 41 GLU C C 41 176.103 176.103 176.074 0.029 19605 3069 1 9 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.270 1.484 19605 3070 1 9 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.198 -0.327 19605 3071 1 9 . 1 1 41 41 GLU H H 41 7.930 7.930 7.685 0.245 19605 3072 1 9 . 1 1 42 42 VAL N N 42 126.109 126.109 127.331 -1.222 19605 3073 1 9 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.127 -0.160 19605 3074 1 9 . 1 1 42 42 VAL C C 42 177.682 177.682 176.136 1.546 19605 3075 1 9 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.804 -0.198 19605 3076 1 9 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.650 0.469 19605 3077 1 9 . 1 1 42 42 VAL H H 42 8.409 8.409 8.677 -0.268 19605 3078 1 9 . 1 1 43 43 VAL N N 43 123.554 123.554 122.145 1.409 19605 3079 1 9 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.551 -0.246 19605 3080 1 9 . 1 1 43 43 VAL C C 43 175.419 175.419 175.884 -0.465 19605 3081 1 9 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.770 -1.553 19605 3082 1 9 . 1 1 43 43 VAL CB C 43 32.855 32.855 33.014 -0.159 19605 3083 1 9 . 1 1 43 43 VAL H H 43 8.738 8.738 7.914 0.824 19605 3084 1 9 . 1 1 44 44 GLY N N 44 110.450 110.450 110.594 -0.144 19605 3085 1 9 . 1 1 44 44 GLY C C 44 171.271 171.271 172.181 -0.910 19605 3086 1 9 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.739 -0.063 19605 3087 1 9 . 1 1 44 44 GLY H H 44 7.344 7.344 7.729 -0.385 19605 3088 1 9 . 1 1 45 45 THR N N 45 109.623 109.623 115.591 -5.968 19605 3089 1 9 . 1 1 45 45 THR HA H 45 4.912 4.912 5.120 -0.208 19605 3090 1 9 . 1 1 45 45 THR C C 45 173.039 173.039 174.152 -1.113 19605 3091 1 9 . 1 1 45 45 THR CA C 45 58.852 58.852 59.294 -0.442 19605 3092 1 9 . 1 1 45 45 THR CB C 45 72.373 72.373 72.099 0.274 19605 3093 1 9 . 1 1 45 45 THR H H 45 8.005 8.005 7.888 0.117 19605 3094 1 9 . 1 1 46 46 SER N N 46 115.547 115.547 118.716 -3.169 19605 3095 1 9 . 1 1 46 46 SER HA H 46 4.396 4.396 4.440 -0.044 19605 3096 1 9 . 1 1 46 46 SER CA C 46 54.603 54.603 59.169 -4.566 19605 3097 1 9 . 1 1 46 46 SER CB C 46 64.891 64.891 62.269 2.622 19605 3098 1 9 . 1 1 46 46 SER H H 46 8.467 8.467 8.418 0.049 19605 3099 1 9 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.449 0.275 19605 3100 1 9 . 1 1 47 47 PRO C C 47 174.783 174.783 175.497 -0.714 19605 3101 1 9 . 1 1 47 47 PRO CA C 47 63.020 63.020 63.087 -0.067 19605 3102 1 9 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.453 2.634 19605 3103 1 9 . 1 1 48 48 SER N N 48 115.136 115.136 114.714 0.422 19605 3104 1 9 . 1 1 48 48 SER HA H 48 3.864 3.864 4.636 -0.772 19605 3105 1 9 . 1 1 48 48 SER C C 48 173.086 173.086 175.059 -1.973 19605 3106 1 9 . 1 1 48 48 SER CA C 48 56.754 56.754 57.258 -0.504 19605 3107 1 9 . 1 1 48 48 SER CB C 48 64.763 64.763 65.309 -0.546 19605 3108 1 9 . 1 1 48 48 SER H H 48 8.286 8.286 7.971 0.315 19605 3109 1 9 . 1 1 49 49 GLY N N 49 112.028 112.028 112.300 -0.272 19605 3110 1 9 . 1 1 49 49 GLY C C 49 173.604 173.604 173.897 -0.293 19605 3111 1 9 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.434 -1.593 19605 3112 1 9 . 1 1 49 49 GLY H H 49 8.727 8.727 8.690 0.037 19605 3113 1 9 . 1 1 50 50 GLN N N 50 125.944 125.944 125.700 0.244 19605 3114 1 9 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.427 0.184 19605 3115 1 9 . 1 1 50 50 GLN C C 50 175.513 175.513 174.324 1.189 19605 3116 1 9 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.477 0.249 19605 3117 1 9 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.642 1.645 19605 3118 1 9 . 1 1 50 50 GLN H H 50 8.317 8.317 8.232 0.085 19605 3119 1 9 . 1 1 51 51 THR N N 51 121.904 121.904 117.231 4.673 19605 3120 1 9 . 1 1 51 51 THR HA H 51 4.512 4.512 4.632 -0.120 19605 3121 1 9 . 1 1 51 51 THR C C 51 172.968 172.968 173.450 -0.482 19605 3122 1 9 . 1 1 51 51 THR CA C 51 59.747 59.747 60.647 -0.899 19605 3123 1 9 . 1 1 51 51 THR CB C 51 69.193 69.193 71.280 -2.087 19605 3124 1 9 . 1 1 51 51 THR H H 51 8.676 8.676 8.249 0.427 19605 3125 1 9 . 1 1 52 52 ILE N N 52 125.386 125.386 124.011 1.375 19605 3126 1 9 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.562 -0.317 19605 3127 1 9 . 1 1 52 52 ILE CA C 52 58.812 58.812 57.315 1.497 19605 3128 1 9 . 1 1 52 52 ILE CB C 52 39.078 39.078 39.855 -0.777 19605 3129 1 9 . 1 1 52 52 ILE H H 52 7.932 7.932 8.582 -0.650 19605 3130 1 9 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.798 -0.811 19605 3131 1 9 . 1 1 53 53 PRO C C 53 177.611 177.611 176.946 0.665 19605 3132 1 9 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.417 0.533 19605 3133 1 9 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.780 0.280 19605 3134 1 9 . 1 1 54 54 GLY N N 54 112.497 112.497 111.972 0.525 19605 3135 1 9 . 1 1 54 54 GLY C C 54 174.123 174.123 174.395 -0.272 19605 3136 1 9 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.072 0.294 19605 3137 1 9 . 1 1 54 54 GLY H H 54 7.868 7.868 8.851 -0.983 19605 3138 1 9 . 1 1 55 55 SER N N 55 116.653 116.653 116.743 -0.090 19605 3139 1 9 . 1 1 55 55 SER HA H 55 4.253 4.253 4.810 -0.557 19605 3140 1 9 . 1 1 55 55 SER C C 55 172.261 172.261 173.739 -1.478 19605 3141 1 9 . 1 1 55 55 SER CA C 55 59.467 59.467 57.394 2.073 19605 3142 1 9 . 1 1 55 55 SER CB C 55 64.049 64.049 64.998 -0.949 19605 3143 1 9 . 1 1 55 55 SER H H 55 7.412 7.412 8.181 -0.769 19605 3144 1 9 . 1 1 56 56 ILE N N 56 122.704 122.704 122.531 0.173 19605 3145 1 9 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.272 -0.143 19605 3146 1 9 . 1 1 56 56 ILE C C 56 176.338 176.338 175.110 1.228 19605 3147 1 9 . 1 1 56 56 ILE CA C 56 61.711 61.711 61.004 0.707 19605 3148 1 9 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.327 0.284 19605 3149 1 9 . 1 1 56 56 ILE H H 56 8.139 8.139 8.227 -0.088 19605 3150 1 9 . 1 1 57 57 VAL N N 57 131.677 131.677 129.004 2.673 19605 3151 1 9 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.326 0.070 19605 3152 1 9 . 1 1 57 57 VAL C C 57 174.382 174.382 174.956 -0.574 19605 3153 1 9 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.628 -0.665 19605 3154 1 9 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.803 1.786 19605 3155 1 9 . 1 1 57 57 VAL H H 57 8.851 8.851 8.673 0.178 19605 3156 1 9 . 1 1 58 58 THR N N 58 125.399 125.399 123.506 1.893 19605 3157 1 9 . 1 1 58 58 THR HA H 58 4.551 4.551 4.645 -0.094 19605 3158 1 9 . 1 1 58 58 THR C C 58 174.712 174.712 173.276 1.436 19605 3159 1 9 . 1 1 58 58 THR CA C 58 61.431 61.431 61.841 -0.410 19605 3160 1 9 . 1 1 58 58 THR CB C 58 69.661 69.661 70.515 -0.854 19605 3161 1 9 . 1 1 58 58 THR H H 58 8.745 8.745 8.534 0.211 19605 3162 1 9 . 1 1 59 59 ILE N N 59 132.342 132.342 126.759 5.583 19605 3163 1 9 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.222 -0.644 19605 3164 1 9 . 1 1 59 59 ILE C C 59 173.675 173.675 174.887 -1.212 19605 3165 1 9 . 1 1 59 59 ILE CA C 59 62.927 62.927 61.039 1.888 19605 3166 1 9 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.245 0.149 19605 3167 1 9 . 1 1 59 59 ILE H H 59 9.185 9.185 8.810 0.375 19605 3168 1 9 . 1 1 60 60 GLN N N 60 127.338 127.338 126.078 1.260 19605 3169 1 9 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.252 -0.110 19605 3170 1 9 . 1 1 60 60 GLN C C 60 176.008 176.008 175.105 0.903 19605 3171 1 9 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.076 -1.464 19605 3172 1 9 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.080 -3.192 19605 3173 1 9 . 1 1 60 60 GLN H H 60 8.290 8.290 8.850 -0.560 19605 3174 1 9 . 1 1 61 61 ILE N N 61 120.103 120.103 117.345 2.758 19605 3175 1 9 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.106 -0.061 19605 3176 1 9 . 1 1 61 61 ILE C C 61 173.392 173.392 174.331 -0.939 19605 3177 1 9 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.254 -0.682 19605 3178 1 9 . 1 1 61 61 ILE CB C 61 41.977 41.977 42.005 -0.028 19605 3179 1 9 . 1 1 61 61 ILE H H 61 8.750 8.750 7.972 0.778 19605 3180 1 9 . 1 1 62 62 SER N N 62 116.310 116.310 116.035 0.275 19605 3181 1 9 . 1 1 62 62 SER HA H 62 4.438 4.438 5.259 -0.821 19605 3182 1 9 . 1 1 62 62 SER C C 62 177.140 177.140 174.233 2.907 19605 3183 1 9 . 1 1 62 62 SER CA C 62 57.035 57.035 56.715 0.320 19605 3184 1 9 . 1 1 62 62 SER CB C 62 62.830 62.830 64.425 -1.595 19605 3185 1 9 . 1 1 62 62 SER H H 62 8.343 8.343 8.214 0.129 19605 3186 1 9 . 1 1 63 63 ASN N N 63 128.919 128.919 123.077 5.842 19605 3187 1 9 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.023 -0.446 19605 3188 1 9 . 1 1 63 63 ASN C C 63 176.645 176.645 174.630 2.015 19605 3189 1 9 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.377 0.365 19605 3190 1 9 . 1 1 63 63 ASN CB C 63 39.105 39.105 40.764 -1.659 19605 3191 1 9 . 1 1 63 63 ASN H H 63 8.805 8.805 9.073 -0.268 19605 3192 1 9 . 1 1 64 64 GLY N N 64 111.519 111.519 112.199 -0.680 19605 3193 1 9 . 1 1 64 64 GLY C C 64 173.227 173.227 174.354 -1.127 19605 3194 1 9 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.287 1.765 19605 3195 1 9 . 1 1 64 64 GLY H H 64 8.676 8.676 8.619 0.057 19605 3196 1 10 . 1 1 2 2 SER N N 2 116.880 116.880 116.385 0.495 19605 3197 1 10 . 1 1 2 2 SER HA H 2 4.512 4.512 4.835 -0.323 19605 3198 1 10 . 1 1 2 2 SER C C 2 173.604 173.604 174.561 -0.957 19605 3199 1 10 . 1 1 2 2 SER CA C 2 57.780 57.780 57.651 0.129 19605 3200 1 10 . 1 1 2 2 SER CB C 2 64.797 64.797 65.653 -0.856 19605 3201 1 10 . 1 1 2 2 SER H H 2 8.343 8.343 8.020 0.323 19605 3202 1 10 . 1 1 3 3 ARG N N 3 125.018 125.018 120.037 4.981 19605 3203 1 10 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.164 0.224 19605 3204 1 10 . 1 1 3 3 ARG C C 3 176.056 176.056 174.940 1.116 19605 3205 1 10 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.464 -1.372 19605 3206 1 10 . 1 1 3 3 ARG CB C 3 30.458 30.458 29.199 1.259 19605 3207 1 10 . 1 1 3 3 ARG H H 3 8.135 8.135 8.672 -0.537 19605 3208 1 10 . 1 1 4 4 VAL N N 4 130.625 130.625 123.986 6.639 19605 3209 1 10 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.183 -0.554 19605 3210 1 10 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.537 -0.320 19605 3211 1 10 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.295 -0.597 19605 3212 1 10 . 1 1 4 4 VAL H H 4 8.329 8.329 8.013 0.316 19605 3213 1 10 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.488 -0.321 19605 3214 1 10 . 1 1 5 5 PRO C C 5 175.420 175.420 176.057 -0.637 19605 3215 1 10 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.598 -0.315 19605 3216 1 10 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.290 -0.592 19605 3217 1 10 . 1 1 6 6 SER N N 6 117.470 117.470 119.002 -1.532 19605 3218 1 10 . 1 1 6 6 SER HA H 6 4.240 4.240 4.491 -0.251 19605 3219 1 10 . 1 1 6 6 SER C C 6 176.008 176.008 174.618 1.390 19605 3220 1 10 . 1 1 6 6 SER CA C 6 58.251 58.251 58.093 0.158 19605 3221 1 10 . 1 1 6 6 SER CB C 6 62.779 62.779 63.597 -0.818 19605 3222 1 10 . 1 1 6 6 SER H H 6 8.303 8.303 8.442 -0.139 19605 3223 1 10 . 1 1 7 7 VAL N N 7 120.063 120.063 119.219 0.844 19605 3224 1 10 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.322 -0.045 19605 3225 1 10 . 1 1 7 7 VAL C C 7 173.746 173.746 175.566 -1.820 19605 3226 1 10 . 1 1 7 7 VAL CA C 7 59.059 59.059 61.133 -2.075 19605 3227 1 10 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.162 -0.133 19605 3228 1 10 . 1 1 7 7 VAL H H 7 8.733 8.733 8.621 0.112 19605 3229 1 10 . 1 1 8 8 ALA N N 8 124.872 124.872 123.282 1.590 19605 3230 1 10 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.382 -0.791 19605 3231 1 10 . 1 1 8 8 ALA C C 8 178.648 178.648 178.567 0.081 19605 3232 1 10 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.175 -0.150 19605 3233 1 10 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.224 -0.910 19605 3234 1 10 . 1 1 8 8 ALA H H 8 6.818 6.818 7.748 -0.930 19605 3235 1 10 . 1 1 9 9 GLY N N 9 112.849 112.849 112.060 0.789 19605 3236 1 10 . 1 1 9 9 GLY C C 9 174.194 174.194 174.206 -0.012 19605 3237 1 10 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.122 -0.198 19605 3238 1 10 . 1 1 9 9 GLY H H 9 8.488 8.488 9.045 -0.557 19605 3239 1 10 . 1 1 10 10 LEU N N 10 122.262 122.262 121.662 0.600 19605 3240 1 10 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.616 -0.259 19605 3241 1 10 . 1 1 10 10 LEU C C 10 176.409 176.409 175.748 0.661 19605 3242 1 10 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.282 0.322 19605 3243 1 10 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.209 -0.434 19605 3244 1 10 . 1 1 10 10 LEU H H 10 7.247 7.247 7.631 -0.384 19605 3245 1 10 . 1 1 11 11 ASP N N 11 118.831 118.831 117.977 0.854 19605 3246 1 10 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.693 0.050 19605 3247 1 10 . 1 1 11 11 ASP C C 11 176.857 176.857 177.856 -0.999 19605 3248 1 10 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.859 -2.413 19605 3249 1 10 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.553 -1.184 19605 3250 1 10 . 1 1 11 11 ASP H H 11 7.615 7.615 8.403 -0.788 19605 3251 1 10 . 1 1 12 12 VAL N N 12 122.055 122.055 122.847 -0.792 19605 3252 1 10 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.620 -0.387 19605 3253 1 10 . 1 1 12 12 VAL C C 12 177.022 177.022 177.566 -0.544 19605 3254 1 10 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.115 0.165 19605 3255 1 10 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.836 -0.717 19605 3256 1 10 . 1 1 12 12 VAL H H 12 8.422 8.422 8.026 0.396 19605 3257 1 10 . 1 1 13 13 ASP N N 13 121.428 121.428 119.462 1.966 19605 3258 1 10 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.282 -0.081 19605 3259 1 10 . 1 1 13 13 ASP C C 13 179.002 179.002 177.929 1.073 19605 3260 1 10 . 1 1 13 13 ASP CA C 13 57.970 57.970 58.224 -0.254 19605 3261 1 10 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.551 -0.917 19605 3262 1 10 . 1 1 13 13 ASP H H 13 8.085 8.085 8.639 -0.554 19605 3263 1 10 . 1 1 14 14 ALA N N 14 126.571 126.571 121.122 5.449 19605 3264 1 10 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.255 -0.197 19605 3265 1 10 . 1 1 14 14 ALA C C 14 180.675 180.675 179.248 1.427 19605 3266 1 10 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.492 -0.227 19605 3267 1 10 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.314 0.158 19605 3268 1 10 . 1 1 14 14 ALA H H 14 8.043 8.043 7.280 0.763 19605 3269 1 10 . 1 1 15 15 ALA N N 15 124.633 124.633 121.273 3.360 19605 3270 1 10 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.034 -0.287 19605 3271 1 10 . 1 1 15 15 ALA C C 15 178.507 178.507 179.468 -0.961 19605 3272 1 10 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.816 -0.025 19605 3273 1 10 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.138 -0.162 19605 3274 1 10 . 1 1 15 15 ALA H H 15 8.580 8.580 7.953 0.627 19605 3275 1 10 . 1 1 16 16 ARG N N 16 119.849 119.849 118.667 1.182 19605 3276 1 10 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.059 -0.432 19605 3277 1 10 . 1 1 16 16 ARG C C 16 177.918 177.918 178.255 -0.337 19605 3278 1 10 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.445 0.689 19605 3279 1 10 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.262 -0.548 19605 3280 1 10 . 1 1 16 16 ARG H H 16 8.538 8.538 8.375 0.163 19605 3281 1 10 . 1 1 17 17 GLN N N 17 119.457 119.457 118.643 0.814 19605 3282 1 10 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.106 -0.408 19605 3283 1 10 . 1 1 17 17 GLN C C 17 177.352 177.352 178.650 -1.298 19605 3284 1 10 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.964 -0.730 19605 3285 1 10 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.512 -0.699 19605 3286 1 10 . 1 1 17 17 GLN H H 17 7.522 7.522 7.611 -0.089 19605 3287 1 10 . 1 1 18 18 ARG N N 18 120.878 120.878 119.611 1.267 19605 3288 1 10 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.075 -0.134 19605 3289 1 10 . 1 1 18 18 ARG C C 18 179.662 179.662 178.958 0.704 19605 3290 1 10 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.148 -0.804 19605 3291 1 10 . 1 1 18 18 ARG CB C 18 29.466 29.466 30.125 -0.659 19605 3292 1 10 . 1 1 18 18 ARG H H 18 7.977 7.977 7.812 0.165 19605 3293 1 10 . 1 1 19 19 LEU N N 19 120.628 120.628 120.508 0.120 19605 3294 1 10 . 1 1 19 19 LEU HA H 19 3.786 3.786 4.193 -0.407 19605 3295 1 10 . 1 1 19 19 LEU C C 19 178.578 178.578 179.104 -0.526 19605 3296 1 10 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.676 -0.691 19605 3297 1 10 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.744 0.121 19605 3298 1 10 . 1 1 19 19 LEU H H 19 7.829 7.829 7.817 0.011 19605 3299 1 10 . 1 1 20 20 LYS N N 20 123.180 123.180 119.696 3.484 19605 3300 1 10 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.210 0.147 19605 3301 1 10 . 1 1 20 20 LYS C C 20 181.925 181.925 179.623 2.302 19605 3302 1 10 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.378 0.089 19605 3303 1 10 . 1 1 20 20 LYS CB C 20 31.946 31.946 31.869 0.077 19605 3304 1 10 . 1 1 20 20 LYS H H 20 8.064 8.064 7.724 0.340 19605 3305 1 10 . 1 1 21 21 ASP N N 21 124.388 124.388 120.034 4.354 19605 3306 1 10 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.516 -0.250 19605 3307 1 10 . 1 1 21 21 ASP C C 21 177.281 177.281 176.833 0.448 19605 3308 1 10 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.692 0.249 19605 3309 1 10 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.083 -0.789 19605 3310 1 10 . 1 1 21 21 ASP H H 21 8.756 8.756 7.887 0.869 19605 3311 1 10 . 1 1 22 22 ALA N N 22 121.900 121.900 118.933 2.967 19605 3312 1 10 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.601 -0.231 19605 3313 1 10 . 1 1 22 22 ALA C C 22 176.480 176.480 176.947 -0.467 19605 3314 1 10 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.498 -0.209 19605 3315 1 10 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.075 -0.273 19605 3316 1 10 . 1 1 22 22 ALA H H 22 7.142 7.142 7.519 -0.377 19605 3317 1 10 . 1 1 23 23 GLY N N 23 108.215 108.215 106.274 1.941 19605 3318 1 10 . 1 1 23 23 GLY C C 23 174.288 174.288 174.532 -0.244 19605 3319 1 10 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.221 -0.545 19605 3320 1 10 . 1 1 23 23 GLY H H 23 7.823 7.823 7.416 0.407 19605 3321 1 10 . 1 1 24 24 PHE N N 24 120.200 120.200 119.193 1.007 19605 3322 1 10 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.744 -0.530 19605 3323 1 10 . 1 1 24 24 PHE C C 24 175.608 175.608 174.979 0.629 19605 3324 1 10 . 1 1 24 24 PHE CA C 24 58.729 58.729 57.443 1.286 19605 3325 1 10 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.436 -1.464 19605 3326 1 10 . 1 1 24 24 PHE H H 24 7.576 7.576 8.058 -0.482 19605 3327 1 10 . 1 1 25 25 GLN N N 25 121.644 121.644 119.218 2.426 19605 3328 1 10 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.632 -0.296 19605 3329 1 10 . 1 1 25 25 GLN C C 25 175.019 175.019 174.596 0.423 19605 3330 1 10 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.207 -0.697 19605 3331 1 10 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.233 -1.011 19605 3332 1 10 . 1 1 25 25 GLN H H 25 7.813 7.813 8.753 -0.940 19605 3333 1 10 . 1 1 26 26 VAL N N 26 124.721 124.721 121.752 2.969 19605 3334 1 10 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.274 0.550 19605 3335 1 10 . 1 1 26 26 VAL C C 26 176.574 176.574 175.489 1.085 19605 3336 1 10 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.509 -0.292 19605 3337 1 10 . 1 1 26 26 VAL CB C 26 33.186 33.186 31.235 1.952 19605 3338 1 10 . 1 1 26 26 VAL H H 26 8.580 8.580 8.497 0.083 19605 3339 1 10 . 1 1 27 27 ALA N N 27 134.373 134.373 130.879 3.494 19605 3340 1 10 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.165 -0.120 19605 3341 1 10 . 1 1 27 27 ALA C C 27 178.342 178.342 177.226 1.116 19605 3342 1 10 . 1 1 27 27 ALA CA C 27 52.116 52.116 52.901 -0.785 19605 3343 1 10 . 1 1 27 27 ALA CB C 27 18.472 18.472 19.758 -1.286 19605 3344 1 10 . 1 1 27 27 ALA H H 27 8.379 8.379 7.996 0.383 19605 3345 1 10 . 1 1 28 28 ASP N N 28 124.562 124.562 119.281 5.281 19605 3346 1 10 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.525 -0.337 19605 3347 1 10 . 1 1 28 28 ASP C C 28 176.668 176.668 176.641 0.027 19605 3348 1 10 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.584 2.012 19605 3349 1 10 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.300 -0.071 19605 3350 1 10 . 1 1 28 28 ASP H H 28 8.614 8.614 8.654 -0.040 19605 3351 1 10 . 1 1 29 29 GLN N N 29 118.753 118.753 120.409 -1.656 19605 3352 1 10 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.390 0.096 19605 3353 1 10 . 1 1 29 29 GLN C C 29 177.261 177.261 175.107 2.154 19605 3354 1 10 . 1 1 29 29 GLN CA C 29 54.265 54.265 55.780 -1.515 19605 3355 1 10 . 1 1 29 29 GLN CB C 29 30.100 30.100 28.328 1.772 19605 3356 1 10 . 1 1 29 29 GLN H H 29 7.779 7.779 8.119 -0.340 19605 3357 1 10 . 1 1 30 30 THR N N 30 116.584 116.584 116.048 0.536 19605 3358 1 10 . 1 1 30 30 THR HA H 30 4.422 4.422 4.563 -0.141 19605 3359 1 10 . 1 1 30 30 THR C C 30 173.887 173.887 173.775 0.112 19605 3360 1 10 . 1 1 30 30 THR CA C 30 60.402 60.402 60.525 -0.123 19605 3361 1 10 . 1 1 30 30 THR CB C 30 70.054 70.054 70.445 -0.391 19605 3362 1 10 . 1 1 30 30 THR H H 30 8.167 8.167 7.901 0.266 19605 3363 1 10 . 1 1 31 31 ASN N N 31 120.109 120.109 121.542 -1.433 19605 3364 1 10 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.960 -0.019 19605 3365 1 10 . 1 1 31 31 ASN C C 31 173.981 173.981 173.876 0.105 19605 3366 1 10 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.324 -1.118 19605 3367 1 10 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.400 1.297 19605 3368 1 10 . 1 1 31 31 ASN H H 31 8.284 8.284 8.365 -0.081 19605 3369 1 10 . 1 1 32 32 SER N N 32 123.634 123.634 119.986 3.648 19605 3370 1 10 . 1 1 32 32 SER HA H 32 5.032 5.032 5.215 -0.183 19605 3371 1 10 . 1 1 32 32 SER C C 32 174.099 174.099 173.871 0.228 19605 3372 1 10 . 1 1 32 32 SER CA C 32 57.596 57.596 57.074 0.522 19605 3373 1 10 . 1 1 32 32 SER CB C 32 63.862 63.862 65.276 -1.414 19605 3374 1 10 . 1 1 32 32 SER H H 32 8.479 8.479 8.481 -0.002 19605 3375 1 10 . 1 1 33 33 VAL N N 33 121.104 121.104 117.680 3.424 19605 3376 1 10 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.601 -0.127 19605 3377 1 10 . 1 1 33 33 VAL C C 33 174.406 174.406 174.281 0.125 19605 3378 1 10 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.730 -1.292 19605 3379 1 10 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.193 -0.023 19605 3380 1 10 . 1 1 33 33 VAL H H 33 8.730 8.730 8.586 0.144 19605 3381 1 10 . 1 1 34 34 ASN N N 34 123.720 123.720 122.001 1.719 19605 3382 1 10 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.475 -0.632 19605 3383 1 10 . 1 1 34 34 ASN C C 34 175.443 175.443 174.946 0.497 19605 3384 1 10 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.800 -0.362 19605 3385 1 10 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.277 -1.710 19605 3386 1 10 . 1 1 34 34 ASN H H 34 8.282 8.282 8.651 -0.369 19605 3387 1 10 . 1 1 35 35 SER N N 35 120.866 120.866 117.017 3.849 19605 3388 1 10 . 1 1 35 35 SER HA H 35 4.292 4.292 4.672 -0.380 19605 3389 1 10 . 1 1 35 35 SER C C 35 172.214 172.214 173.546 -1.332 19605 3390 1 10 . 1 1 35 35 SER CA C 35 58.531 58.531 57.578 0.953 19605 3391 1 10 . 1 1 35 35 SER CB C 35 63.114 63.114 64.498 -1.384 19605 3392 1 10 . 1 1 35 35 SER H H 35 7.987 7.987 8.247 -0.260 19605 3393 1 10 . 1 1 36 36 SER N N 36 119.438 119.438 116.032 3.406 19605 3394 1 10 . 1 1 36 36 SER HA H 36 4.266 4.266 4.511 -0.245 19605 3395 1 10 . 1 1 36 36 SER C C 36 175.254 175.254 172.840 2.414 19605 3396 1 10 . 1 1 36 36 SER CA C 36 58.195 58.195 58.442 -0.247 19605 3397 1 10 . 1 1 36 36 SER CB C 36 63.145 63.145 63.127 0.018 19605 3398 1 10 . 1 1 36 36 SER H H 36 7.972 7.972 8.525 -0.553 19605 3399 1 10 . 1 1 37 37 ALA N N 37 128.628 128.628 122.969 5.659 19605 3400 1 10 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.561 -0.503 19605 3401 1 10 . 1 1 37 37 ALA C C 37 177.918 177.918 175.816 2.102 19605 3402 1 10 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.114 1.599 19605 3403 1 10 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.706 -2.986 19605 3404 1 10 . 1 1 37 37 ALA H H 37 8.386 8.386 7.471 0.915 19605 3405 1 10 . 1 1 38 38 LYS N N 38 125.515 125.515 120.297 5.218 19605 3406 1 10 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.422 -0.610 19605 3407 1 10 . 1 1 38 38 LYS C C 38 174.854 174.854 176.035 -1.181 19605 3408 1 10 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.467 1.100 19605 3409 1 10 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.583 -1.306 19605 3410 1 10 . 1 1 38 38 LYS H H 38 8.320 8.320 8.510 -0.190 19605 3411 1 10 . 1 1 39 39 TYR N N 39 124.088 124.088 127.787 -3.699 19605 3412 1 10 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.353 -0.798 19605 3413 1 10 . 1 1 39 39 TYR C C 39 177.328 177.328 176.753 0.575 19605 3414 1 10 . 1 1 39 39 TYR CA C 39 59.934 59.934 59.047 0.887 19605 3415 1 10 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.659 -0.142 19605 3416 1 10 . 1 1 39 39 TYR H H 39 8.248 8.248 8.731 -0.483 19605 3417 1 10 . 1 1 40 40 GLY N N 40 117.795 117.795 114.245 3.550 19605 3418 1 10 . 1 1 40 40 GLY C C 40 173.534 173.534 173.096 0.438 19605 3419 1 10 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.715 0.536 19605 3420 1 10 . 1 1 40 40 GLY H H 40 8.454 8.454 8.398 0.056 19605 3421 1 10 . 1 1 41 41 GLU N N 41 124.175 124.175 122.352 1.823 19605 3422 1 10 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.699 -0.745 19605 3423 1 10 . 1 1 41 41 GLU C C 41 176.103 176.103 175.680 0.423 19605 3424 1 10 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.318 1.436 19605 3425 1 10 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.111 -0.240 19605 3426 1 10 . 1 1 41 41 GLU H H 41 7.930 7.930 7.605 0.325 19605 3427 1 10 . 1 1 42 42 VAL N N 42 126.109 126.109 127.103 -0.994 19605 3428 1 10 . 1 1 42 42 VAL HA H 42 3.967 3.967 3.925 0.042 19605 3429 1 10 . 1 1 42 42 VAL C C 42 177.682 177.682 176.107 1.575 19605 3430 1 10 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.188 0.417 19605 3431 1 10 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.388 0.731 19605 3432 1 10 . 1 1 42 42 VAL H H 42 8.409 8.409 8.371 0.038 19605 3433 1 10 . 1 1 43 43 VAL N N 43 123.554 123.554 122.747 0.807 19605 3434 1 10 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.478 -0.173 19605 3435 1 10 . 1 1 43 43 VAL C C 43 175.419 175.419 175.756 -0.337 19605 3436 1 10 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.648 -1.431 19605 3437 1 10 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.590 0.265 19605 3438 1 10 . 1 1 43 43 VAL H H 43 8.738 8.738 7.810 0.928 19605 3439 1 10 . 1 1 44 44 GLY N N 44 110.450 110.450 109.981 0.469 19605 3440 1 10 . 1 1 44 44 GLY C C 44 171.271 171.271 172.126 -0.855 19605 3441 1 10 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.745 -0.069 19605 3442 1 10 . 1 1 44 44 GLY H H 44 7.344 7.344 7.853 -0.509 19605 3443 1 10 . 1 1 45 45 THR N N 45 109.623 109.623 114.883 -5.260 19605 3444 1 10 . 1 1 45 45 THR HA H 45 4.912 4.912 5.166 -0.254 19605 3445 1 10 . 1 1 45 45 THR C C 45 173.039 173.039 174.064 -1.025 19605 3446 1 10 . 1 1 45 45 THR CA C 45 58.852 58.852 59.861 -1.009 19605 3447 1 10 . 1 1 45 45 THR CB C 45 72.373 72.373 71.919 0.453 19605 3448 1 10 . 1 1 45 45 THR H H 45 8.005 8.005 7.903 0.102 19605 3449 1 10 . 1 1 46 46 SER N N 46 115.547 115.547 116.885 -1.338 19605 3450 1 10 . 1 1 46 46 SER HA H 46 4.396 4.396 4.501 -0.105 19605 3451 1 10 . 1 1 46 46 SER CA C 46 54.603 54.603 61.170 -6.567 19605 3452 1 10 . 1 1 46 46 SER CB C 46 64.891 64.891 61.927 2.964 19605 3453 1 10 . 1 1 46 46 SER H H 46 8.467 8.467 8.342 0.125 19605 3454 1 10 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.391 0.333 19605 3455 1 10 . 1 1 47 47 PRO C C 47 174.783 174.783 175.708 -0.925 19605 3456 1 10 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.937 0.083 19605 3457 1 10 . 1 1 47 47 PRO CB C 47 35.087 35.087 31.975 3.112 19605 3458 1 10 . 1 1 48 48 SER N N 48 115.136 115.136 116.445 -1.309 19605 3459 1 10 . 1 1 48 48 SER HA H 48 3.864 3.864 4.568 -0.704 19605 3460 1 10 . 1 1 48 48 SER C C 48 173.086 173.086 174.944 -1.858 19605 3461 1 10 . 1 1 48 48 SER CA C 48 56.754 56.754 57.287 -0.533 19605 3462 1 10 . 1 1 48 48 SER CB C 48 64.763 64.763 65.297 -0.534 19605 3463 1 10 . 1 1 48 48 SER H H 48 8.286 8.286 8.133 0.153 19605 3464 1 10 . 1 1 49 49 GLY N N 49 112.028 112.028 112.855 -0.827 19605 3465 1 10 . 1 1 49 49 GLY C C 49 173.604 173.604 173.836 -0.232 19605 3466 1 10 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.267 -1.426 19605 3467 1 10 . 1 1 49 49 GLY H H 49 8.727 8.727 8.743 -0.016 19605 3468 1 10 . 1 1 50 50 GLN N N 50 125.944 125.944 126.121 -0.177 19605 3469 1 10 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.446 0.165 19605 3470 1 10 . 1 1 50 50 GLN C C 50 175.513 175.513 174.693 0.820 19605 3471 1 10 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.235 0.491 19605 3472 1 10 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.597 1.690 19605 3473 1 10 . 1 1 50 50 GLN H H 50 8.317 8.317 8.306 0.011 19605 3474 1 10 . 1 1 51 51 THR N N 51 121.904 121.904 118.067 3.837 19605 3475 1 10 . 1 1 51 51 THR HA H 51 4.512 4.512 4.598 -0.086 19605 3476 1 10 . 1 1 51 51 THR C C 51 172.968 172.968 173.635 -0.667 19605 3477 1 10 . 1 1 51 51 THR CA C 51 59.747 59.747 60.964 -1.217 19605 3478 1 10 . 1 1 51 51 THR CB C 51 69.193 69.193 71.653 -2.460 19605 3479 1 10 . 1 1 51 51 THR H H 51 8.676 8.676 8.176 0.500 19605 3480 1 10 . 1 1 52 52 ILE N N 52 125.386 125.386 124.510 0.876 19605 3481 1 10 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.446 -0.201 19605 3482 1 10 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.935 -0.123 19605 3483 1 10 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.508 0.570 19605 3484 1 10 . 1 1 52 52 ILE H H 52 7.932 7.932 8.622 -0.690 19605 3485 1 10 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.722 -0.735 19605 3486 1 10 . 1 1 53 53 PRO C C 53 177.611 177.611 177.242 0.369 19605 3487 1 10 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.478 0.472 19605 3488 1 10 . 1 1 53 53 PRO CB C 53 32.060 32.060 32.067 -0.007 19605 3489 1 10 . 1 1 54 54 GLY N N 54 112.497 112.497 111.863 0.634 19605 3490 1 10 . 1 1 54 54 GLY C C 54 174.123 174.123 174.408 -0.285 19605 3491 1 10 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.105 0.261 19605 3492 1 10 . 1 1 54 54 GLY H H 54 7.868 7.868 8.840 -0.972 19605 3493 1 10 . 1 1 55 55 SER N N 55 116.653 116.653 116.482 0.171 19605 3494 1 10 . 1 1 55 55 SER HA H 55 4.253 4.253 4.846 -0.593 19605 3495 1 10 . 1 1 55 55 SER C C 55 172.261 172.261 173.742 -1.481 19605 3496 1 10 . 1 1 55 55 SER CA C 55 59.467 59.467 57.405 2.062 19605 3497 1 10 . 1 1 55 55 SER CB C 55 64.049 64.049 64.836 -0.787 19605 3498 1 10 . 1 1 55 55 SER H H 55 7.412 7.412 8.258 -0.846 19605 3499 1 10 . 1 1 56 56 ILE N N 56 122.704 122.704 123.649 -0.945 19605 3500 1 10 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.318 -0.189 19605 3501 1 10 . 1 1 56 56 ILE C C 56 176.338 176.338 174.953 1.385 19605 3502 1 10 . 1 1 56 56 ILE CA C 56 61.711 61.711 60.508 1.203 19605 3503 1 10 . 1 1 56 56 ILE CB C 56 38.611 38.611 37.805 0.806 19605 3504 1 10 . 1 1 56 56 ILE H H 56 8.139 8.139 8.269 -0.130 19605 3505 1 10 . 1 1 57 57 VAL N N 57 131.677 131.677 128.407 3.270 19605 3506 1 10 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.278 0.118 19605 3507 1 10 . 1 1 57 57 VAL C C 57 174.382 174.382 174.805 -0.423 19605 3508 1 10 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.291 -0.328 19605 3509 1 10 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.731 1.857 19605 3510 1 10 . 1 1 57 57 VAL H H 57 8.851 8.851 8.616 0.235 19605 3511 1 10 . 1 1 58 58 THR N N 58 125.399 125.399 123.407 1.992 19605 3512 1 10 . 1 1 58 58 THR HA H 58 4.551 4.551 4.616 -0.065 19605 3513 1 10 . 1 1 58 58 THR C C 58 174.712 174.712 173.334 1.378 19605 3514 1 10 . 1 1 58 58 THR CA C 58 61.431 61.431 61.417 0.014 19605 3515 1 10 . 1 1 58 58 THR CB C 58 69.661 69.661 70.251 -0.591 19605 3516 1 10 . 1 1 58 58 THR H H 58 8.745 8.745 8.574 0.171 19605 3517 1 10 . 1 1 59 59 ILE N N 59 132.342 132.342 126.657 5.685 19605 3518 1 10 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.207 -0.629 19605 3519 1 10 . 1 1 59 59 ILE C C 59 173.675 173.675 174.494 -0.819 19605 3520 1 10 . 1 1 59 59 ILE CA C 59 62.927 62.927 60.937 1.990 19605 3521 1 10 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.564 -0.170 19605 3522 1 10 . 1 1 59 59 ILE H H 59 9.185 9.185 8.823 0.362 19605 3523 1 10 . 1 1 60 60 GLN N N 60 127.338 127.338 128.090 -0.752 19605 3524 1 10 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.377 -0.235 19605 3525 1 10 . 1 1 60 60 GLN C C 60 176.008 176.008 174.491 1.517 19605 3526 1 10 . 1 1 60 60 GLN CA C 60 52.612 52.612 53.970 -1.358 19605 3527 1 10 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.719 -3.832 19605 3528 1 10 . 1 1 60 60 GLN H H 60 8.290 8.290 8.949 -0.659 19605 3529 1 10 . 1 1 61 61 ILE N N 61 120.103 120.103 120.220 -0.117 19605 3530 1 10 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.178 -0.133 19605 3531 1 10 . 1 1 61 61 ILE C C 61 173.392 173.392 174.364 -0.972 19605 3532 1 10 . 1 1 61 61 ILE CA C 61 57.572 57.572 57.871 -0.299 19605 3533 1 10 . 1 1 61 61 ILE CB C 61 41.977 41.977 41.990 -0.013 19605 3534 1 10 . 1 1 61 61 ILE H H 61 8.750 8.750 7.946 0.804 19605 3535 1 10 . 1 1 62 62 SER N N 62 116.310 116.310 116.071 0.239 19605 3536 1 10 . 1 1 62 62 SER HA H 62 4.438 4.438 5.195 -0.757 19605 3537 1 10 . 1 1 62 62 SER C C 62 177.140 177.140 174.911 2.229 19605 3538 1 10 . 1 1 62 62 SER CA C 62 57.035 57.035 56.217 0.818 19605 3539 1 10 . 1 1 62 62 SER CB C 62 62.830 62.830 64.378 -1.548 19605 3540 1 10 . 1 1 62 62 SER H H 62 8.343 8.343 8.100 0.243 19605 3541 1 10 . 1 1 63 63 ASN N N 63 128.919 128.919 123.389 5.530 19605 3542 1 10 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.213 -0.636 19605 3543 1 10 . 1 1 63 63 ASN C C 63 176.645 176.645 174.562 2.083 19605 3544 1 10 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.304 0.438 19605 3545 1 10 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.426 -0.321 19605 3546 1 10 . 1 1 63 63 ASN H H 63 8.805 8.805 8.874 -0.069 19605 3547 1 10 . 1 1 64 64 GLY N N 64 111.519 111.519 110.882 0.637 19605 3548 1 10 . 1 1 64 64 GLY C C 64 173.227 173.227 173.637 -0.410 19605 3549 1 10 . 1 1 64 64 GLY CA C 64 46.052 46.052 45.009 1.043 19605 3550 1 10 . 1 1 64 64 GLY H H 64 8.676 8.676 8.452 0.224 19605 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 60 2.952 -1.411 2.615 19605 2 1 1 "Average Difference" HA 70 0.380 0.208 0.320 19605 3 1 1 "Average Difference" C 60 1.163 -0.174 1.160 19605 4 1 1 "Average Difference" CA 63 1.153 0.079 1.159 19605 5 1 1 "Average Difference" CB 56 1.167 0.333 1.128 19605 6 1 1 "Average Difference" HN 60 0.449 0.041 0.451 19605 7 1 2 "Average Difference" N 60 2.788 -1.470 2.389 19605 8 1 2 "Average Difference" HA 70 0.379 0.203 0.322 19605 9 1 2 "Average Difference" C 60 1.131 -0.128 1.133 19605 10 1 2 "Average Difference" CA 63 1.188 0.121 1.191 19605 11 1 2 "Average Difference" CB 56 1.192 0.269 1.172 19605 12 1 2 "Average Difference" HN 60 0.440 0.023 0.443 19605 13 1 3 "Average Difference" N 60 2.973 -1.454 2.615 19605 14 1 3 "Average Difference" HA 70 0.372 0.191 0.322 19605 15 1 3 "Average Difference" C 60 1.172 -0.188 1.166 19605 16 1 3 "Average Difference" CA 63 1.252 0.202 1.245 19605 17 1 3 "Average Difference" CB 56 1.178 0.394 1.121 19605 18 1 3 "Average Difference" HN 60 0.455 0.056 0.455 19605 19 1 4 "Average Difference" N 60 3.025 -1.483 2.659 19605 20 1 4 "Average Difference" HA 70 0.383 0.209 0.323 19605 21 1 4 "Average Difference" C 60 1.110 -0.125 1.112 19605 22 1 4 "Average Difference" CA 63 1.247 0.042 1.257 19605 23 1 4 "Average Difference" CB 56 1.196 0.259 1.179 19605 24 1 4 "Average Difference" HN 60 0.427 0.026 0.430 19605 25 1 5 "Average Difference" N 60 3.128 -1.548 2.741 19605 26 1 5 "Average Difference" HA 70 0.378 0.197 0.325 19605 27 1 5 "Average Difference" C 60 1.117 -0.120 1.120 19605 28 1 5 "Average Difference" CA 63 1.138 0.114 1.141 19605 29 1 5 "Average Difference" CB 56 1.119 0.241 1.103 19605 30 1 5 "Average Difference" HN 60 0.461 0.052 0.462 19605 31 1 6 "Average Difference" N 60 2.847 -1.401 2.499 19605 32 1 6 "Average Difference" HA 70 0.386 0.216 0.322 19605 33 1 6 "Average Difference" C 60 1.126 -0.171 1.122 19605 34 1 6 "Average Difference" CA 63 1.265 0.126 1.269 19605 35 1 6 "Average Difference" CB 56 1.187 0.328 1.151 19605 36 1 6 "Average Difference" HN 60 0.465 0.027 0.468 19605 37 1 7 "Average Difference" N 60 2.955 -1.568 2.526 19605 38 1 7 "Average Difference" HA 70 0.387 0.211 0.327 19605 39 1 7 "Average Difference" C 60 1.135 -0.211 1.124 19605 40 1 7 "Average Difference" CA 63 1.107 0.094 1.112 19605 41 1 7 "Average Difference" CB 56 1.187 0.349 1.145 19605 42 1 7 "Average Difference" HN 60 0.436 0.033 0.438 19605 43 1 8 "Average Difference" N 60 2.987 -1.404 2.659 19605 44 1 8 "Average Difference" HA 70 0.369 0.195 0.316 19605 45 1 8 "Average Difference" C 60 1.131 -0.202 1.122 19605 46 1 8 "Average Difference" CA 63 1.291 0.091 1.298 19605 47 1 8 "Average Difference" CB 56 1.132 0.357 1.084 19605 48 1 8 "Average Difference" HN 60 0.470 0.056 0.471 19605 49 1 9 "Average Difference" N 60 3.007 -1.389 2.690 19605 50 1 9 "Average Difference" HA 70 0.391 0.215 0.329 19605 51 1 9 "Average Difference" C 60 1.128 -0.158 1.126 19605 52 1 9 "Average Difference" CA 63 1.158 0.125 1.161 19605 53 1 9 "Average Difference" CB 56 1.181 0.400 1.121 19605 54 1 9 "Average Difference" HN 60 0.449 0.054 0.450 19605 55 1 10 "Average Difference" N 60 2.894 -1.584 2.443 19605 56 1 10 "Average Difference" HA 70 0.383 0.211 0.322 19605 57 1 10 "Average Difference" C 60 1.109 -0.190 1.102 19605 58 1 10 "Average Difference" CA 63 1.259 0.154 1.260 19605 59 1 10 "Average Difference" CB 56 1.280 0.266 1.263 19605 60 1 10 "Average Difference" HN 60 0.472 0.024 0.475 19605 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19605 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 116.880 116.880 116.397 0.483 19605 2 1 . 1 1 2 2 SER HA H 2 4.512 4.512 4.723 -0.211 19605 3 1 . 1 1 2 2 SER C C 2 173.604 173.604 174.093 -0.488 19605 4 1 . 1 1 2 2 SER CA C 2 57.780 57.780 58.261 -0.481 19605 5 1 . 1 1 2 2 SER CB C 2 64.797 64.797 64.072 0.725 19605 6 1 . 1 1 2 2 SER H H 2 8.343 8.343 8.176 0.167 19605 7 1 . 1 1 3 3 ARG N N 3 125.018 125.018 122.995 2.023 19605 8 1 . 1 1 3 3 ARG HA H 3 4.388 4.388 4.314 0.074 19605 9 1 . 1 1 3 3 ARG C C 3 176.056 176.056 174.751 1.305 19605 10 1 . 1 1 3 3 ARG CA C 3 55.092 55.092 56.334 -1.242 19605 11 1 . 1 1 3 3 ARG CB C 3 30.458 30.458 30.698 -0.240 19605 12 1 . 1 1 3 3 ARG H H 3 8.135 8.135 8.498 -0.363 19605 13 1 . 1 1 4 4 VAL N N 4 130.625 130.625 123.684 6.941 19605 14 1 . 1 1 4 4 VAL HA H 4 3.629 3.629 4.103 -0.474 19605 15 1 . 1 1 4 4 VAL CA C 4 60.217 60.217 60.155 0.062 19605 16 1 . 1 1 4 4 VAL CB C 4 31.698 31.698 32.175 -0.477 19605 17 1 . 1 1 4 4 VAL H H 4 8.329 8.329 7.996 0.333 19605 18 1 . 1 1 5 5 PRO HA H 5 4.167 4.167 4.492 -0.325 19605 19 1 . 1 1 5 5 PRO C C 5 175.420 175.420 176.041 -0.621 19605 20 1 . 1 1 5 5 PRO CA C 5 62.283 62.283 62.445 -0.162 19605 21 1 . 1 1 5 5 PRO CB C 5 31.698 31.698 32.347 -0.649 19605 22 1 . 1 1 6 6 SER N N 6 117.470 117.470 117.748 -0.278 19605 23 1 . 1 1 6 6 SER HA H 6 4.240 4.240 4.446 -0.206 19605 24 1 . 1 1 6 6 SER C C 6 176.008 176.008 174.823 1.185 19605 25 1 . 1 1 6 6 SER CA C 6 58.251 58.251 57.957 0.294 19605 26 1 . 1 1 6 6 SER CB C 6 62.779 62.779 63.420 -0.641 19605 27 1 . 1 1 6 6 SER H H 6 8.303 8.303 8.429 -0.126 19605 28 1 . 1 1 7 7 VAL N N 7 120.063 120.063 122.254 -2.191 19605 29 1 . 1 1 7 7 VAL HA H 7 4.277 4.277 4.310 -0.033 19605 30 1 . 1 1 7 7 VAL C C 7 173.746 173.746 175.454 -1.708 19605 31 1 . 1 1 7 7 VAL CA C 7 59.059 59.059 60.910 -1.851 19605 32 1 . 1 1 7 7 VAL CB C 7 32.029 32.029 32.263 -0.234 19605 33 1 . 1 1 7 7 VAL H H 7 8.733 8.733 8.579 0.155 19605 34 1 . 1 1 8 8 ALA N N 8 124.872 124.872 123.237 1.635 19605 35 1 . 1 1 8 8 ALA HA H 8 3.591 3.591 4.337 -0.746 19605 36 1 . 1 1 8 8 ALA C C 8 178.648 178.648 178.466 0.182 19605 37 1 . 1 1 8 8 ALA CA C 8 53.025 53.025 53.254 -0.229 19605 38 1 . 1 1 8 8 ALA CB C 8 17.314 17.314 18.230 -0.916 19605 39 1 . 1 1 8 8 ALA H H 8 6.818 6.818 7.702 -0.884 19605 40 1 . 1 1 9 9 GLY N N 9 112.849 112.849 112.240 0.609 19605 41 1 . 1 1 9 9 GLY C C 9 174.194 174.194 174.233 -0.039 19605 42 1 . 1 1 9 9 GLY CA C 9 44.924 44.924 45.057 -0.134 19605 43 1 . 1 1 9 9 GLY H H 9 8.488 8.488 8.963 -0.475 19605 44 1 . 1 1 10 10 LEU N N 10 122.262 122.262 121.631 0.631 19605 45 1 . 1 1 10 10 LEU HA H 10 4.357 4.357 4.643 -0.285 19605 46 1 . 1 1 10 10 LEU C C 10 176.409 176.409 175.885 0.524 19605 47 1 . 1 1 10 10 LEU CA C 10 53.604 53.604 53.708 -0.104 19605 48 1 . 1 1 10 10 LEU CB C 10 42.775 42.775 43.092 -0.317 19605 49 1 . 1 1 10 10 LEU H H 10 7.247 7.247 7.823 -0.576 19605 50 1 . 1 1 11 11 ASP N N 11 118.831 118.831 118.372 0.459 19605 51 1 . 1 1 11 11 ASP HA H 11 4.743 4.743 4.756 -0.013 19605 52 1 . 1 1 11 11 ASP C C 11 176.857 176.857 178.085 -1.228 19605 53 1 . 1 1 11 11 ASP CA C 11 52.446 52.446 54.220 -1.774 19605 54 1 . 1 1 11 11 ASP CB C 11 41.369 41.369 42.780 -1.411 19605 55 1 . 1 1 11 11 ASP H H 11 7.615 7.615 8.322 -0.707 19605 56 1 . 1 1 12 12 VAL N N 12 122.055 122.055 122.268 -0.213 19605 57 1 . 1 1 12 12 VAL HA H 12 3.233 3.233 3.624 -0.391 19605 58 1 . 1 1 12 12 VAL C C 12 177.022 177.022 177.638 -0.616 19605 59 1 . 1 1 12 12 VAL CA C 12 67.280 67.280 67.011 0.269 19605 60 1 . 1 1 12 12 VAL CB C 12 31.119 31.119 31.767 -0.647 19605 61 1 . 1 1 12 12 VAL H H 12 8.422 8.422 8.071 0.351 19605 62 1 . 1 1 13 13 ASP N N 13 121.428 121.428 119.673 1.755 19605 63 1 . 1 1 13 13 ASP HA H 13 4.201 4.201 4.290 -0.089 19605 64 1 . 1 1 13 13 ASP C C 13 179.002 179.002 177.896 1.106 19605 65 1 . 1 1 13 13 ASP CA C 13 57.970 57.970 57.768 0.202 19605 66 1 . 1 1 13 13 ASP CB C 13 39.634 39.634 40.389 -0.755 19605 67 1 . 1 1 13 13 ASP H H 13 8.085 8.085 8.293 -0.208 19605 68 1 . 1 1 14 14 ALA N N 14 126.571 126.571 121.163 5.408 19605 69 1 . 1 1 14 14 ALA HA H 14 4.058 4.058 4.230 -0.172 19605 70 1 . 1 1 14 14 ALA C C 14 180.675 180.675 179.169 1.506 19605 71 1 . 1 1 14 14 ALA CA C 14 54.265 54.265 54.555 -0.290 19605 72 1 . 1 1 14 14 ALA CB C 14 18.472 18.472 18.380 0.092 19605 73 1 . 1 1 14 14 ALA H H 14 8.043 8.043 7.384 0.659 19605 74 1 . 1 1 15 15 ALA N N 15 124.633 124.633 121.299 3.334 19605 75 1 . 1 1 15 15 ALA HA H 15 3.747 3.747 4.019 -0.272 19605 76 1 . 1 1 15 15 ALA C C 15 178.507 178.507 179.483 -0.976 19605 77 1 . 1 1 15 15 ALA CA C 15 54.790 54.790 54.826 -0.035 19605 78 1 . 1 1 15 15 ALA CB C 15 17.976 17.976 18.151 -0.175 19605 79 1 . 1 1 15 15 ALA H H 15 8.580 8.580 7.925 0.655 19605 80 1 . 1 1 16 16 ARG N N 16 119.849 119.849 118.560 1.289 19605 81 1 . 1 1 16 16 ARG HA H 16 3.627 3.627 4.055 -0.428 19605 82 1 . 1 1 16 16 ARG C C 16 177.918 177.918 178.382 -0.463 19605 83 1 . 1 1 16 16 ARG CA C 16 60.134 60.134 59.412 0.722 19605 84 1 . 1 1 16 16 ARG CB C 16 29.714 29.714 30.265 -0.551 19605 85 1 . 1 1 16 16 ARG H H 16 8.538 8.538 8.312 0.226 19605 86 1 . 1 1 17 17 GLN N N 17 119.457 119.457 118.495 0.962 19605 87 1 . 1 1 17 17 GLN HA H 17 3.698 3.698 4.099 -0.401 19605 88 1 . 1 1 17 17 GLN C C 17 177.352 177.352 178.552 -1.200 19605 89 1 . 1 1 17 17 GLN CA C 17 58.233 58.233 58.889 -0.656 19605 90 1 . 1 1 17 17 GLN CB C 17 27.813 27.813 28.489 -0.676 19605 91 1 . 1 1 17 17 GLN H H 17 7.522 7.522 7.615 -0.093 19605 92 1 . 1 1 18 18 ARG N N 18 120.878 120.878 120.433 0.445 19605 93 1 . 1 1 18 18 ARG HA H 18 3.941 3.941 4.073 -0.132 19605 94 1 . 1 1 18 18 ARG C C 18 179.662 179.662 178.919 0.743 19605 95 1 . 1 1 18 18 ARG CA C 18 58.344 58.344 59.131 -0.787 19605 96 1 . 1 1 18 18 ARG CB C 18 29.466 29.466 29.976 -0.510 19605 97 1 . 1 1 18 18 ARG H H 18 7.977 7.977 7.739 0.238 19605 98 1 . 1 1 19 19 LEU N N 19 120.628 120.628 120.244 0.384 19605 99 1 . 1 1 19 19 LEU HA H 19 3.786 3.786 3.998 -0.212 19605 100 1 . 1 1 19 19 LEU C C 19 178.578 178.578 178.985 -0.407 19605 101 1 . 1 1 19 19 LEU CA C 19 57.985 57.985 58.654 -0.669 19605 102 1 . 1 1 19 19 LEU CB C 19 41.865 41.865 41.781 0.084 19605 103 1 . 1 1 19 19 LEU H H 19 7.829 7.829 7.750 0.079 19605 104 1 . 1 1 20 20 LYS N N 20 123.180 123.180 119.597 3.583 19605 105 1 . 1 1 20 20 LYS HA H 20 4.357 4.357 4.216 0.141 19605 106 1 . 1 1 20 20 LYS C C 20 181.925 181.925 179.651 2.274 19605 107 1 . 1 1 20 20 LYS CA C 20 59.467 59.467 59.361 0.106 19605 108 1 . 1 1 20 20 LYS CB C 20 31.946 31.946 32.047 -0.101 19605 109 1 . 1 1 20 20 LYS H H 20 8.064 8.064 7.702 0.362 19605 110 1 . 1 1 21 21 ASP N N 21 124.388 124.388 119.828 4.560 19605 111 1 . 1 1 21 21 ASP HA H 21 4.266 4.266 4.526 -0.260 19605 112 1 . 1 1 21 21 ASP C C 21 177.281 177.281 176.871 0.411 19605 113 1 . 1 1 21 21 ASP CA C 21 56.941 56.941 56.547 0.394 19605 114 1 . 1 1 21 21 ASP CB C 21 40.294 40.294 41.005 -0.711 19605 115 1 . 1 1 21 21 ASP H H 21 8.756 8.756 7.885 0.871 19605 116 1 . 1 1 22 22 ALA N N 22 121.900 121.900 119.369 2.531 19605 117 1 . 1 1 22 22 ALA HA H 22 4.370 4.370 4.599 -0.229 19605 118 1 . 1 1 22 22 ALA C C 22 176.480 176.480 177.352 -0.872 19605 119 1 . 1 1 22 22 ALA CA C 22 51.289 51.289 51.785 -0.496 19605 120 1 . 1 1 22 22 ALA CB C 22 18.802 18.802 19.293 -0.491 19605 121 1 . 1 1 22 22 ALA H H 22 7.142 7.142 7.559 -0.417 19605 122 1 . 1 1 23 23 GLY N N 23 108.215 108.215 106.242 1.973 19605 123 1 . 1 1 23 23 GLY C C 23 174.288 174.288 174.371 -0.083 19605 124 1 . 1 1 23 23 GLY CA C 23 44.676 44.676 45.264 -0.588 19605 125 1 . 1 1 23 23 GLY H H 23 7.823 7.823 7.566 0.257 19605 126 1 . 1 1 24 24 PHE N N 24 120.200 120.200 118.829 1.371 19605 127 1 . 1 1 24 24 PHE HA H 24 4.214 4.214 4.735 -0.521 19605 128 1 . 1 1 24 24 PHE C C 24 175.608 175.608 174.896 0.712 19605 129 1 . 1 1 24 24 PHE CA C 24 58.729 58.729 56.800 1.929 19605 130 1 . 1 1 24 24 PHE CB C 24 38.972 38.972 40.661 -1.689 19605 131 1 . 1 1 24 24 PHE H H 24 7.576 7.576 8.186 -0.610 19605 132 1 . 1 1 25 25 GLN N N 25 121.644 121.644 118.994 2.650 19605 133 1 . 1 1 25 25 GLN HA H 25 4.336 4.336 4.650 -0.314 19605 134 1 . 1 1 25 25 GLN C C 25 175.019 175.019 174.556 0.463 19605 135 1 . 1 1 25 25 GLN CA C 25 54.510 54.510 55.070 -0.560 19605 136 1 . 1 1 25 25 GLN CB C 25 31.222 31.222 32.042 -0.820 19605 137 1 . 1 1 25 25 GLN H H 25 7.813 7.813 8.692 -0.879 19605 138 1 . 1 1 26 26 VAL N N 26 124.721 124.721 121.804 2.917 19605 139 1 . 1 1 26 26 VAL HA H 26 4.824 4.824 4.241 0.583 19605 140 1 . 1 1 26 26 VAL C C 26 176.574 176.574 175.305 1.269 19605 141 1 . 1 1 26 26 VAL CA C 26 60.217 60.217 60.944 -0.727 19605 142 1 . 1 1 26 26 VAL CB C 26 33.186 33.186 32.368 0.818 19605 143 1 . 1 1 26 26 VAL H H 26 8.580 8.580 8.457 0.123 19605 144 1 . 1 1 27 27 ALA N N 27 134.373 134.373 130.557 3.816 19605 145 1 . 1 1 27 27 ALA HA H 27 4.045 4.045 4.383 -0.338 19605 146 1 . 1 1 27 27 ALA C C 27 178.342 178.342 176.959 1.383 19605 147 1 . 1 1 27 27 ALA CA C 27 52.116 52.116 52.308 -0.192 19605 148 1 . 1 1 27 27 ALA CB C 27 18.472 18.472 20.032 -1.560 19605 149 1 . 1 1 27 27 ALA H H 27 8.379 8.379 8.039 0.340 19605 150 1 . 1 1 28 28 ASP N N 28 124.562 124.562 119.116 5.446 19605 151 1 . 1 1 28 28 ASP HA H 28 4.188 4.188 4.545 -0.357 19605 152 1 . 1 1 28 28 ASP C C 28 176.668 176.668 176.354 0.314 19605 153 1 . 1 1 28 28 ASP CA C 28 57.596 57.596 55.381 2.215 19605 154 1 . 1 1 28 28 ASP CB C 28 41.229 41.229 41.215 0.014 19605 155 1 . 1 1 28 28 ASP H H 28 8.614 8.614 8.625 -0.011 19605 156 1 . 1 1 29 29 GLN N N 29 118.753 118.753 119.937 -1.184 19605 157 1 . 1 1 29 29 GLN HA H 29 4.486 4.486 4.351 0.135 19605 158 1 . 1 1 29 29 GLN C C 29 177.261 177.261 174.861 2.400 19605 159 1 . 1 1 29 29 GLN CA C 29 54.265 54.265 56.142 -1.877 19605 160 1 . 1 1 29 29 GLN CB C 29 30.100 30.100 29.081 1.019 19605 161 1 . 1 1 29 29 GLN H H 29 7.779 7.779 8.033 -0.254 19605 162 1 . 1 1 30 30 THR N N 30 116.584 116.584 116.575 0.009 19605 163 1 . 1 1 30 30 THR HA H 30 4.422 4.422 4.584 -0.162 19605 164 1 . 1 1 30 30 THR C C 30 173.887 173.887 173.476 0.411 19605 165 1 . 1 1 30 30 THR CA C 30 60.402 60.402 60.308 0.094 19605 166 1 . 1 1 30 30 THR CB C 30 70.054 70.054 70.758 -0.704 19605 167 1 . 1 1 30 30 THR H H 30 8.167 8.167 8.227 -0.060 19605 168 1 . 1 1 31 31 ASN N N 31 120.109 120.109 122.547 -2.438 19605 169 1 . 1 1 31 31 ASN HA H 31 4.941 4.941 4.982 -0.041 19605 170 1 . 1 1 31 31 ASN C C 31 173.981 173.981 173.664 0.317 19605 171 1 . 1 1 31 31 ASN CA C 31 51.206 51.206 52.455 -1.250 19605 172 1 . 1 1 31 31 ASN CB C 31 41.697 41.697 40.787 0.910 19605 173 1 . 1 1 31 31 ASN H H 31 8.284 8.284 8.465 -0.182 19605 174 1 . 1 1 32 32 SER N N 32 123.634 123.634 119.526 4.108 19605 175 1 . 1 1 32 32 SER HA H 32 5.032 5.032 5.179 -0.147 19605 176 1 . 1 1 32 32 SER C C 32 174.099 174.099 173.851 0.248 19605 177 1 . 1 1 32 32 SER CA C 32 57.596 57.596 57.160 0.436 19605 178 1 . 1 1 32 32 SER CB C 32 63.862 63.862 65.096 -1.235 19605 179 1 . 1 1 32 32 SER H H 32 8.479 8.479 8.500 -0.021 19605 180 1 . 1 1 33 33 VAL N N 33 121.104 121.104 119.626 1.478 19605 181 1 . 1 1 33 33 VAL HA H 33 4.474 4.474 4.563 -0.089 19605 182 1 . 1 1 33 33 VAL C C 33 174.406 174.406 174.490 -0.084 19605 183 1 . 1 1 33 33 VAL CA C 33 58.438 58.438 59.768 -1.330 19605 184 1 . 1 1 33 33 VAL CB C 33 35.170 35.170 35.228 -0.058 19605 185 1 . 1 1 33 33 VAL H H 33 8.730 8.730 8.615 0.115 19605 186 1 . 1 1 34 34 ASN N N 34 123.720 123.720 123.360 0.360 19605 187 1 . 1 1 34 34 ASN HA H 34 4.843 4.843 5.532 -0.689 19605 188 1 . 1 1 34 34 ASN C C 34 175.443 175.443 174.993 0.450 19605 189 1 . 1 1 34 34 ASN CA C 34 53.438 53.438 53.541 -0.103 19605 190 1 . 1 1 34 34 ASN CB C 34 37.567 37.567 39.195 -1.628 19605 191 1 . 1 1 34 34 ASN H H 34 8.282 8.282 8.687 -0.405 19605 192 1 . 1 1 35 35 SER N N 35 120.866 120.866 116.657 4.209 19605 193 1 . 1 1 35 35 SER HA H 35 4.292 4.292 4.685 -0.393 19605 194 1 . 1 1 35 35 SER C C 35 172.214 172.214 173.363 -1.149 19605 195 1 . 1 1 35 35 SER CA C 35 58.531 58.531 57.740 0.790 19605 196 1 . 1 1 35 35 SER CB C 35 63.114 63.114 64.562 -1.448 19605 197 1 . 1 1 35 35 SER H H 35 7.987 7.987 8.387 -0.400 19605 198 1 . 1 1 36 36 SER N N 36 119.438 119.438 115.649 3.789 19605 199 1 . 1 1 36 36 SER HA H 36 4.266 4.266 4.556 -0.291 19605 200 1 . 1 1 36 36 SER C C 36 175.254 175.254 173.606 1.648 19605 201 1 . 1 1 36 36 SER CA C 36 58.195 58.195 58.261 -0.066 19605 202 1 . 1 1 36 36 SER CB C 36 63.145 63.145 63.030 0.115 19605 203 1 . 1 1 36 36 SER H H 36 7.972 7.972 8.480 -0.508 19605 204 1 . 1 1 37 37 ALA N N 37 128.628 128.628 123.884 4.744 19605 205 1 . 1 1 37 37 ALA HA H 37 4.058 4.058 4.513 -0.455 19605 206 1 . 1 1 37 37 ALA C C 37 177.918 177.918 175.743 2.175 19605 207 1 . 1 1 37 37 ALA CA C 37 51.713 51.713 50.744 0.969 19605 208 1 . 1 1 37 37 ALA CB C 37 18.720 18.720 21.318 -2.598 19605 209 1 . 1 1 37 37 ALA H H 37 8.386 8.386 7.652 0.734 19605 210 1 . 1 1 38 38 LYS N N 38 125.515 125.515 120.065 5.450 19605 211 1 . 1 1 38 38 LYS HA H 38 3.812 3.812 4.444 -0.632 19605 212 1 . 1 1 38 38 LYS C C 38 174.854 174.854 176.153 -1.299 19605 213 1 . 1 1 38 38 LYS CA C 38 56.567 56.567 55.343 1.224 19605 214 1 . 1 1 38 38 LYS CB C 38 32.277 32.277 33.387 -1.110 19605 215 1 . 1 1 38 38 LYS H H 38 8.320 8.320 8.529 -0.209 19605 216 1 . 1 1 39 39 TYR N N 39 124.088 124.088 127.095 -3.007 19605 217 1 . 1 1 39 39 TYR HA H 39 3.555 3.555 4.348 -0.793 19605 218 1 . 1 1 39 39 TYR C C 39 177.328 177.328 176.875 0.453 19605 219 1 . 1 1 39 39 TYR CA C 39 59.934 59.934 58.988 0.946 19605 220 1 . 1 1 39 39 TYR CB C 39 38.517 38.517 38.674 -0.157 19605 221 1 . 1 1 39 39 TYR H H 39 8.248 8.248 8.714 -0.466 19605 222 1 . 1 1 40 40 GLY N N 40 117.795 117.795 114.427 3.368 19605 223 1 . 1 1 40 40 GLY C C 40 173.534 173.534 173.221 0.313 19605 224 1 . 1 1 40 40 GLY CA C 40 45.251 45.251 44.697 0.554 19605 225 1 . 1 1 40 40 GLY H H 40 8.454 8.454 8.402 0.052 19605 226 1 . 1 1 41 41 GLU N N 41 124.175 124.175 122.316 1.859 19605 227 1 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.686 -0.732 19605 228 1 . 1 1 41 41 GLU C C 41 176.103 176.103 175.866 0.237 19605 229 1 . 1 1 41 41 GLU CA C 41 56.754 56.754 55.602 1.153 19605 230 1 . 1 1 41 41 GLU CB C 41 30.871 30.871 31.062 -0.191 19605 231 1 . 1 1 41 41 GLU H H 41 7.930 7.930 7.624 0.306 19605 232 1 . 1 1 42 42 VAL N N 42 126.109 126.109 126.955 -0.846 19605 233 1 . 1 1 42 42 VAL HA H 42 3.967 3.967 4.085 -0.118 19605 234 1 . 1 1 42 42 VAL C C 42 177.682 177.682 176.057 1.625 19605 235 1 . 1 1 42 42 VAL CA C 42 63.606 63.606 63.500 0.106 19605 236 1 . 1 1 42 42 VAL CB C 42 31.119 31.119 30.734 0.385 19605 237 1 . 1 1 42 42 VAL H H 42 8.409 8.409 8.545 -0.136 19605 238 1 . 1 1 43 43 VAL N N 43 123.554 123.554 123.422 0.132 19605 239 1 . 1 1 43 43 VAL HA H 43 4.305 4.305 4.558 -0.253 19605 240 1 . 1 1 43 43 VAL C C 43 175.419 175.419 175.937 -0.518 19605 241 1 . 1 1 43 43 VAL CA C 43 60.217 60.217 61.558 -1.341 19605 242 1 . 1 1 43 43 VAL CB C 43 32.855 32.855 32.810 0.045 19605 243 1 . 1 1 43 43 VAL H H 43 8.738 8.738 7.869 0.868 19605 244 1 . 1 1 44 44 GLY N N 44 110.450 110.450 110.333 0.117 19605 245 1 . 1 1 44 44 GLY C C 44 171.271 171.271 172.322 -1.051 19605 246 1 . 1 1 44 44 GLY CA C 44 44.676 44.676 44.774 -0.098 19605 247 1 . 1 1 44 44 GLY H H 44 7.344 7.344 7.741 -0.397 19605 248 1 . 1 1 45 45 THR N N 45 109.623 109.623 115.749 -6.126 19605 249 1 . 1 1 45 45 THR HA H 45 4.912 4.912 5.145 -0.233 19605 250 1 . 1 1 45 45 THR C C 45 173.039 173.039 174.199 -1.160 19605 251 1 . 1 1 45 45 THR CA C 45 58.852 58.852 59.422 -0.570 19605 252 1 . 1 1 45 45 THR CB C 45 72.373 72.373 72.011 0.362 19605 253 1 . 1 1 45 45 THR H H 45 8.005 8.005 7.919 0.086 19605 254 1 . 1 1 46 46 SER N N 46 115.547 115.547 117.796 -2.249 19605 255 1 . 1 1 46 46 SER HA H 46 4.396 4.396 4.457 -0.061 19605 256 1 . 1 1 46 46 SER CA C 46 54.603 54.603 60.221 -5.618 19605 257 1 . 1 1 46 46 SER CB C 46 64.891 64.891 62.141 2.750 19605 258 1 . 1 1 46 46 SER H H 46 8.467 8.467 8.429 0.038 19605 259 1 . 1 1 47 47 PRO HA H 47 4.724 4.724 4.424 0.300 19605 260 1 . 1 1 47 47 PRO C C 47 174.783 174.783 175.774 -0.991 19605 261 1 . 1 1 47 47 PRO CA C 47 63.020 63.020 62.969 0.051 19605 262 1 . 1 1 47 47 PRO CB C 47 35.087 35.087 32.146 2.941 19605 263 1 . 1 1 48 48 SER N N 48 115.136 115.136 115.842 -0.706 19605 264 1 . 1 1 48 48 SER HA H 48 3.864 3.864 4.582 -0.718 19605 265 1 . 1 1 48 48 SER C C 48 173.086 173.086 175.013 -1.927 19605 266 1 . 1 1 48 48 SER CA C 48 56.754 56.754 57.278 -0.524 19605 267 1 . 1 1 48 48 SER CB C 48 64.763 64.763 65.250 -0.487 19605 268 1 . 1 1 48 48 SER H H 48 8.286 8.286 8.110 0.176 19605 269 1 . 1 1 49 49 GLY N N 49 112.028 112.028 112.962 -0.934 19605 270 1 . 1 1 49 49 GLY C C 49 173.604 173.604 173.810 -0.207 19605 271 1 . 1 1 49 49 GLY CA C 49 44.841 44.841 46.355 -1.514 19605 272 1 . 1 1 49 49 GLY H H 49 8.727 8.727 8.686 0.041 19605 273 1 . 1 1 50 50 GLN N N 50 125.944 125.944 126.218 -0.274 19605 274 1 . 1 1 50 50 GLN HA H 50 4.611 4.611 4.469 0.142 19605 275 1 . 1 1 50 50 GLN C C 50 175.513 175.513 174.647 0.866 19605 276 1 . 1 1 50 50 GLN CA C 50 55.726 55.726 55.381 0.345 19605 277 1 . 1 1 50 50 GLN CB C 50 30.287 30.287 28.971 1.316 19605 278 1 . 1 1 50 50 GLN H H 50 8.317 8.317 8.297 0.020 19605 279 1 . 1 1 51 51 THR N N 51 121.904 121.904 118.388 3.517 19605 280 1 . 1 1 51 51 THR HA H 51 4.512 4.512 4.626 -0.115 19605 281 1 . 1 1 51 51 THR C C 51 172.968 172.968 173.619 -0.651 19605 282 1 . 1 1 51 51 THR CA C 51 59.747 59.747 60.966 -1.219 19605 283 1 . 1 1 51 51 THR CB C 51 69.193 69.193 71.490 -2.297 19605 284 1 . 1 1 51 51 THR H H 51 8.676 8.676 8.245 0.431 19605 285 1 . 1 1 52 52 ILE N N 52 125.386 125.386 124.759 0.627 19605 286 1 . 1 1 52 52 ILE HA H 52 4.245 4.245 4.463 -0.218 19605 287 1 . 1 1 52 52 ILE CA C 52 58.812 58.812 58.300 0.512 19605 288 1 . 1 1 52 52 ILE CB C 52 39.078 39.078 38.816 0.262 19605 289 1 . 1 1 52 52 ILE H H 52 7.932 7.932 8.601 -0.669 19605 290 1 . 1 1 53 53 PRO HA H 53 3.987 3.987 4.648 -0.661 19605 291 1 . 1 1 53 53 PRO C C 53 177.611 177.611 177.127 0.483 19605 292 1 . 1 1 53 53 PRO CA C 53 63.950 63.950 63.319 0.631 19605 293 1 . 1 1 53 53 PRO CB C 53 32.060 32.060 31.845 0.215 19605 294 1 . 1 1 54 54 GLY N N 54 112.497 112.497 111.917 0.580 19605 295 1 . 1 1 54 54 GLY C C 54 174.123 174.123 174.412 -0.289 19605 296 1 . 1 1 54 54 GLY CA C 54 45.366 45.366 45.079 0.287 19605 297 1 . 1 1 54 54 GLY H H 54 7.868 7.868 8.819 -0.951 19605 298 1 . 1 1 55 55 SER N N 55 116.653 116.653 116.689 -0.036 19605 299 1 . 1 1 55 55 SER HA H 55 4.253 4.253 4.806 -0.553 19605 300 1 . 1 1 55 55 SER C C 55 172.261 172.261 173.814 -1.553 19605 301 1 . 1 1 55 55 SER CA C 55 59.467 59.467 57.443 2.024 19605 302 1 . 1 1 55 55 SER CB C 55 64.049 64.049 64.960 -0.911 19605 303 1 . 1 1 55 55 SER H H 55 7.412 7.412 8.199 -0.787 19605 304 1 . 1 1 56 56 ILE N N 56 122.704 122.704 122.920 -0.216 19605 305 1 . 1 1 56 56 ILE HA H 56 4.129 4.129 4.286 -0.157 19605 306 1 . 1 1 56 56 ILE C C 56 176.338 176.338 174.871 1.467 19605 307 1 . 1 1 56 56 ILE CA C 56 61.711 61.711 60.966 0.745 19605 308 1 . 1 1 56 56 ILE CB C 56 38.611 38.611 38.401 0.210 19605 309 1 . 1 1 56 56 ILE H H 56 8.139 8.139 8.250 -0.111 19605 310 1 . 1 1 57 57 VAL N N 57 131.677 131.677 129.107 2.570 19605 311 1 . 1 1 57 57 VAL HA H 57 4.396 4.396 4.319 0.077 19605 312 1 . 1 1 57 57 VAL C C 57 174.382 174.382 174.818 -0.436 19605 313 1 . 1 1 57 57 VAL CA C 57 60.963 60.963 61.287 -0.324 19605 314 1 . 1 1 57 57 VAL CB C 57 34.589 34.589 32.881 1.708 19605 315 1 . 1 1 57 57 VAL H H 57 8.851 8.851 8.650 0.201 19605 316 1 . 1 1 58 58 THR N N 58 125.399 125.399 123.759 1.640 19605 317 1 . 1 1 58 58 THR HA H 58 4.551 4.551 4.621 -0.070 19605 318 1 . 1 1 58 58 THR C C 58 174.712 174.712 173.419 1.293 19605 319 1 . 1 1 58 58 THR CA C 58 61.431 61.431 61.676 -0.245 19605 320 1 . 1 1 58 58 THR CB C 58 69.661 69.661 70.325 -0.664 19605 321 1 . 1 1 58 58 THR H H 58 8.745 8.745 8.514 0.231 19605 322 1 . 1 1 59 59 ILE N N 59 132.342 132.342 126.823 5.519 19605 323 1 . 1 1 59 59 ILE HA H 59 3.578 3.578 4.232 -0.654 19605 324 1 . 1 1 59 59 ILE C C 59 173.675 173.675 174.659 -0.984 19605 325 1 . 1 1 59 59 ILE CA C 59 62.927 62.927 60.852 2.075 19605 326 1 . 1 1 59 59 ILE CB C 59 38.394 38.394 38.050 0.344 19605 327 1 . 1 1 59 59 ILE H H 59 9.185 9.185 8.797 0.388 19605 328 1 . 1 1 60 60 GLN N N 60 127.338 127.338 126.350 0.988 19605 329 1 . 1 1 60 60 GLN HA H 60 5.142 5.142 5.306 -0.164 19605 330 1 . 1 1 60 60 GLN C C 60 176.008 176.008 175.045 0.963 19605 331 1 . 1 1 60 60 GLN CA C 60 52.612 52.612 54.014 -1.402 19605 332 1 . 1 1 60 60 GLN CB C 60 28.887 28.887 32.137 -3.250 19605 333 1 . 1 1 60 60 GLN H H 60 8.290 8.290 8.867 -0.577 19605 334 1 . 1 1 61 61 ILE N N 61 120.103 120.103 118.193 1.910 19605 335 1 . 1 1 61 61 ILE HA H 61 5.045 5.045 5.159 -0.115 19605 336 1 . 1 1 61 61 ILE C C 61 173.392 173.392 174.341 -0.949 19605 337 1 . 1 1 61 61 ILE CA C 61 57.572 57.572 58.126 -0.554 19605 338 1 . 1 1 61 61 ILE CB C 61 41.977 41.977 42.009 -0.032 19605 339 1 . 1 1 61 61 ILE H H 61 8.750 8.750 8.046 0.704 19605 340 1 . 1 1 62 62 SER N N 62 116.310 116.310 116.130 0.180 19605 341 1 . 1 1 62 62 SER HA H 62 4.438 4.438 5.286 -0.848 19605 342 1 . 1 1 62 62 SER C C 62 177.140 177.140 174.705 2.435 19605 343 1 . 1 1 62 62 SER CA C 62 57.035 57.035 56.409 0.626 19605 344 1 . 1 1 62 62 SER CB C 62 62.830 62.830 64.346 -1.516 19605 345 1 . 1 1 62 62 SER H H 62 8.343 8.343 8.161 0.182 19605 346 1 . 1 1 63 63 ASN N N 63 128.919 128.919 122.895 6.024 19605 347 1 . 1 1 63 63 ASN HA H 63 4.577 4.577 5.124 -0.547 19605 348 1 . 1 1 63 63 ASN C C 63 176.645 176.645 174.870 1.775 19605 349 1 . 1 1 63 63 ASN CA C 63 52.742 52.742 52.355 0.387 19605 350 1 . 1 1 63 63 ASN CB C 63 39.105 39.105 39.457 -0.352 19605 351 1 . 1 1 63 63 ASN H H 63 8.805 8.805 9.052 -0.247 19605 352 1 . 1 1 64 64 GLY N N 64 111.519 111.519 110.938 0.581 19605 353 1 . 1 1 64 64 GLY C C 64 173.227 173.227 174.217 -0.990 19605 354 1 . 1 1 64 64 GLY CA C 64 46.052 46.052 44.425 1.627 19605 355 1 . 1 1 64 64 GLY H H 64 8.676 8.676 8.692 -0.017 19605 stop_ save_